SCHEMBL185789

SCHEMBL185789

Cc1cncc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 1.00
ATM Q13315 1/20 0.62
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.57
DDO Q99489 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TPMT P51580 1/20 0.56
HCAR1 Q9BXC0 1/20 0.48
RAF1 P04049 1/20 0.47
SMYD3 Q9H7B4 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
APP P05067 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL29586507 1.00 HCAR2 (1.00) HCAR2ATMALDH1A1KDM4EMEN1
SCHEMBL28807541 1.00 HCAR2 (1.00) HCAR2ATMALDH1A1KDM4EMEN1
Ammonia Solution, Strong SCHEMBL27341465 0.98 HCAR2 (0.96) HCAR2ATMALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL1374255 0.98 HCAR2 (0.96) HCAR2ATMALDH1A1KDM4EMEN1
SCHEMBL9507781 0.98 HCAR2 (0.96) HCAR2ATMALDH1A1KDM4EMEN1
Methyl Alcohol SCHEMBL28625386 0.98 HCAR2 (0.96) HCAR2ATMALDH1A1KDM4EMEN1
Formaldehyde SCHEMBL27662616 0.96 HCAR2 (0.92) HCAR2ATMALDH1A1KDM4EMEN1
Hydrazine SCHEMBL28220034 0.96 HCAR2 (0.92) HCAR2ATMALDH1A1KDM4EMEN1
Methylene Chloride SCHEMBL28328829 0.92 HCAR2 (0.85) HCAR2ATMALDH1A1KDM4EMEN1
SCHEMBL51830 0.83 HCAR2 (0.70) HCAR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462646-A Substituted tetrahydro-beta-carboline derivative, synthesis method and application thereof 江苏科技大学 2025-02-18 CN claimed
US-20250017954-A1 Formulations and Methods for Treating Symptoms of Menopause Kindra Corporation (US) 2025-01-16 US claimed
CN-118908817-A Synthesis method of 2,2' - (benzylidene) bis (3-hydroxy-5, 5-dimethylcyclohex-2-en-1-one) compound 宁夏师范学院 2024-11-08 CN claimed
CN-118851997-A Purification method of 5-methylnicotinic acid 浙江博迈科生物医药研发有限公司 2024-10-29 CN claimed
CN-118510501-A Formulations and methods for treating climacteric symptoms 金卓拉公司 2024-08-16 CN claimed
CN-118206532-A Preparation method of rupatadine fumarate and rupatadine fumarate 广东九明制药有限公司 2024-06-18 CN claimed
CN-118047783-A Substituted triazole compound and preparation method and application thereof 山东大学 2024-05-17 CN claimed
CN-114998621-B SERS quantitative analysis method based on coffee ring concentration effect and image processing technology 嘉兴学院 2024-04-16 CN claimed
CN-117720458-A Preparation method of rupatadine intermediate 5-methyl-3-pyridine methanol 北京嘉林药业股份有限公司 2024-03-19 CN claimed
CN-117417291-A Preparation method of rupatadine fumarate intermediate 5-methyl-3-hydroxymethylpyridine 北京嘉林药业股份有限公司 2024-01-19 CN claimed
WO-2002018366-A1 PROCESS FOR THE SYNTHESIS OF N-(5-METHYLNICOTINOYL)-4-HYDROXYPIPERIDINE, A KEY INTERMEDIATE OF RUPATADINE RANBAXY LABORATORIES LIMITED (IN) 2002-03-07 WO claimed
EP-0577957-B1 8-Chloro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidyliden]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine URIACH & CIA SA J (ES) 1995-07-12 EP claimed
EP-0577957-A1 8-Chloro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidyliden]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine J. URIACH & CIA. S.A. (ES) 1994-01-12 EP claimed
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP claimed
CN-1067653-A Novel herbicide RHONE POULENC AGRICULTURE (GB) 1993-01-06 CN claimed
EP-0159769-B1 ELECTROCHEMICAL OXIDATION OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1991-03-27 EP claimed
EP-0159769-A1 Electrochemical oxidation of pyridine bases REILLY INDUSTRIES, INC. (US) 1985-10-30 EP claimed
EP-0044931-B1 2-0 AND 5-0-SUBSTITUTED 1,4;3,6-DIANHYDRO-HEXITE MONONITRATES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1985-04-10 EP claimed
US-4482439-A Electrochemical oxidation of pyridine bases REILLY TAR & CHEMICAL CORP. (US) 1984-11-13 US claimed
US-4364953-A CORONARY DISEASE FIRMA WILLMAR SCHWABE (DE) 1982-12-21 US claimed