SCHEMBL171168

SCHEMBL171168

N#Cc1cccc(C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.61
▸ ATIC P31939 1/20 0.54
▸ PARP1 P09874 7/20 0.53
▸ VNN1 O95497 4/20 0.52
▸ PARP15 Q460N3 2/20 0.49
▸ PARP10 Q53GL7 2/20 0.49
▸ PARP2 Q9UGN5 2/20 0.49
▸ TNKS O95271 1/20 0.49
▸ PARP14 Q460N5 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ GRM5 P41594 2/20 0.48
▸ TSHR P16473 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2041048 1.00 GSK3B (0.61) GSK3BATICPARP1VNN1PARP15
Hydrochloric Acid SCHEMBL4380330 0.98 GSK3B (0.59) GSK3BATICPARP1VNN1PARP15
Water SCHEMBL2507779 0.96 GSK3B (0.57) GSK3BATICPARP1VNN1PARP15
Trifluoroacetic Acid SCHEMBL10277552 0.88 GSK3B (0.50) GSK3BATICPARP1VNN1GRM5
Trifluoroacetic Acid SCHEMBL10277752 0.88 GSK3B (0.50) GSK3BATICPARP1VNN1GRM5
Fluorobenzene SCHEMBL28928520 0.88 PARP1 (0.59) GSK3BATICPARP1VNN1TSHR
SCHEMBL3859503 0.85 GSK3B (0.50) GSK3BATICVNN1
SCHEMBL23079142 0.84 GSK3B (0.61) GSK3BVNN1GRM5MAPTCLK1
SCHEMBL2500188 0.84 GSK3B (0.61) GSK3BVNN1GRM5MAPTCLK1
Benzamide SCHEMBL10421496 0.82 TSHR (0.67) GSK3BATICPARP1VNN1PARP15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 528 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4644365-A1 METHOD FOR PRODUCING PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-11-05 — — EP claimed
CN-119775242-A Method for synthesizing 5-cyanophthalide 内蒙古源宏精细化工有限公司 2025-04-08 — — CN claimed
EP-4491613-A2 METHOD FOR PRODUCING PURIFIED PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-01-15 — — EP claimed
EP-4112598-B1 METHOD FOR PRODUCING PURIFIED PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE MITSUBISHI GAS CHEMICAL CO (JP) 2024-12-18 — — EP claimed
CN-118615725-A Device and method for extracting m-cyanobenzamide from m-phthalonitrile unqualified product 江苏新河农用化工有限公司 2024-09-10 — — CN claimed
CN-115175897-B Process for producing purified phthalonitriles and process for purifying phthalonitriles 三菱瓦斯化学株式会社 2024-08-23 — — CN claimed
WO-2024143206-A1 METHOD FOR PRODUCING PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE 三菱瓦斯化学株式会社 2024-07-04 — — WO claimed
CN-117618959-A Continuous automatic purification system device and system method for isophthalonitrile 江苏新河农用化工有限公司 2024-03-01 — — CN claimed
CN-114890856-B Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2023-08-22 — — CN claimed
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP claimed
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 — — US claimed
US-20010044141-A1 Novel Rhodococcus bacterium, nitrilase gene, nitryl hydratase gene and amidase gene from Rhodococcus bacterium, and process for producing carboxylic acids using them SHOWA DENKO K.K. (JP) 2001-11-22 — — US claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP claimed
EP-1142997-A1 NOVEL RHODOCOCCUS, RHODOCOCCUS-ORIGIN NITRILASE GENE, NITRILEHYDRATASE GENE AND AMIDASE GENE AND PROCESS FOR PRODUCING CARBOXYLIC ACIDS BY USING THE SAME Showa Denko K.K. (JP) 2001-10-10 — — EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO claimed
EP-1000036-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LIMITED (KR) 2000-05-17 — — EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
EP-0989115-A2 Process for producing cyanobenzoic acid derivatives Showa Denko Kabushiki Kaisha (JP) 2000-03-29 — — EP claimed
WO-1999005117-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LTD. (KR) 1999-02-04 — — WO claimed
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