SCHEMBL904686

SCHEMBL904686

O=C(Cl)Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
PTPRA P18433 1/20 0.50
POLB P06746 2/20 0.49
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
FDPS P14324 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL31324457 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2PTPRAPOLB
Hydrochloric Acid SCHEMBL31201564 0.98 RAB9A (0.57) RAB9ANPC1SMN1; SMN2PTPRAPOLB
Hydrochloric Acid SCHEMBL3595586 0.98 RAB9A (0.57) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL21909733 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL2142240 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL6447477 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL21298 0.81 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
Benzene SCHEMBL11747977 0.81 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL29676689 0.81 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
Chloroform SCHEMBL9150901 0.80 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3620162-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2020-03-11 EP claimed
EP-2554646-B1 BIODEGRADABLE LUBRICATING OIL COMPOSITION HAVING FLAME RETARDANCY IDEMITSU KOSAN CO (JP) 2019-06-12 EP claimed
WO-2024106431-A1 POLYOLEFIN-BASED COATING MATERIAL COMPOSITION AND PRIMER COATING MATERIAL 東洋紡エムシー株式会社 2024-05-23 WO disclosed
WO-2024106348-A1 POLYOLEFIN-BASED PAINT COMPOSITION AND PRIMER PAINT 東洋紡エムシー株式会社 2024-05-23 WO disclosed
WO-2024048712-A1 ARTICLE, CROSSLINKED THERMOPLASTIC ELASTOMER COMPOSITION, AND METHOD FOR PRODUCING SAME MCPPイノベーション合同会社 2024-03-07 WO disclosed
WO-2023171608-A1 METHOD FOR PRODUCING POLYOXYETHYLENE DERIVATIVE, METHOD FOR QUANTITATING POLYOXYETHYLENE COMPOUND, AND LABELING REAGENT FOR ANALYSIS USE 日油株式会社 2023-09-14 WO disclosed
CN-114989377-B Rosin modified phenolic resin and preparation method and application thereof 杭华油墨股份有限公司 2023-07-14 CN disclosed
US-20220396696-A1 METHOD FOR FORMING FIBER-REINFORCED COMPOSITE MATERIAL AND EPOXY RESIN COMPOSITION FOR USE THEREIN TORAY INDUSTRIES, INC. (JP) 2022-12-15 US disclosed
CN-114989377-A Rosin modified phenolic resin and preparation method and application thereof 杭华油墨股份有限公司 2022-09-02 CN disclosed
CN-114729133-A Method for molding fiber-reinforced composite material and epoxy resin composition used therein 东丽株式会社 2022-07-08 CN disclosed
CN-109071780-B Epoxy resin composition and electronic component device 昭和电工材料株式会社 2022-04-08 CN disclosed
US-5198588-A OPTICALLY ACTIVE ISOXAZOLE DERIVATIVES AND INTERMEDIATES FOR PREPARATION THEREOF DAISO CO., LTD. (JP) 1993-03-30 US disclosed
WO-1992011269-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed
CN-1062534-A Novel methylene-bis phosphonate derivative HUHTAMAEKI YHTHYMAE OY (FI) 1992-07-08 CN disclosed
EP-0439129-A2 Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same Daiso Co., Ltd. (JP) 1991-07-31 EP disclosed
EP-0079049-B1 NOVEL SUBSTITUTED ALKANOYLIMIDAZOL-2-ONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
US-4521428-A Anorexigenic trifluoromethylphenyltetrahydropyridines and pharmaceutical compositions containing them SANOFI (FR) 1985-06-04 US disclosed
US-4447619-A CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1984-05-08 US disclosed
EP-0079049-A2 Novel substituted alkanoylimidazol-2-one derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-18 EP disclosed
US-4367236-A CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-01-04 US disclosed