SCHEMBL9575256

SCHEMBL9575256

COc1ccc(C2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 1.00
PTGIR P43119 1/20 0.82
KDM4E B2RXH2 1/20 0.67
HTR1D P28221 1/20 0.59
ADRA1A P35348 1/20 0.59

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
SCHEMBL5807724 0.91 PTGIR (1.00) NISCHPTGIRKDM4E
SCHEMBL14089880 0.89 NISCH (0.79) NISCHPTGIRKDM4E
SCHEMBL26122325 0.86 NISCH (0.76) NISCHPTGIRKDM4E
SCHEMBL5476725 0.84 NISCH (0.79) NISCHHTR1DADRA1A
SCHEMBL8202988 0.84 NISCH (0.71) NISCHPTGIRKDM4E
SCHEMBL8195589 0.82 NISCH (0.86) NISCHPTGIRKDM4E
SCHEMBL24495605 0.82 NISCH (0.68) NISCHPTGIRKDM4E
SCHEMBL5803247 0.81 PTGIR (0.84) NISCHPTGIRKDM4E
Hydrochloric Acid SCHEMBL8203418 0.81 NISCH (0.66) NISCHPTGIRKDM4E
SCHEMBL14599511 0.80 NISCH (0.67) NISCHPTGIRHTR1DADRA1A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107034002-B Environment-friendly aqueous demolding release composition 中山市润发纺织材料有限公司 2020-01-10 CN claimed
US-5182268-A Pharmaceutical composition comprising daunorubicin potentiated with 2,4,5-tri (4-methoxyphenyl)-4,5-dihydroimidazole MARION MERRELL DOW, INC. (US) 1993-01-26 US claimed
CN-107034002-B Environment-friendly aqueous demolding release composition 中山市润发纺织材料有限公司 2020-01-10 CN disclosed
CN-106939248-B Water-based carbon deposit cleaning composition for automobile Foshan city cloud Technology Co. Ltd. (CN) 2019-12-10 CN disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
CN-107034002-A Environment-friendly type aqueous demoulding parting composition 中山市润发纺织材料有限公司 2017-08-11 CN disclosed
CN-106939248-A Automobile water-based base carbon distribution cleaning combination 佛山市云系科技有限公司 2017-07-11 CN disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
EP-0331507-B1 POLYVINYL CHLORIDE PLASTISOL COMPOSITION ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-05-19 EP disclosed
US-5182268-A Pharmaceutical composition comprising daunorubicin potentiated with 2,4,5-tri (4-methoxyphenyl)-4,5-dihydroimidazole MARION MERRELL DOW, INC. (US) 1993-01-26 US disclosed
US-4977201-A Blended with modified epoxy resin, blocked isocyanate, latent curing for resin as tackifier, automobile undercoatings ASAHI DENKA KOGYO K.K. (JP) 1990-12-11 US disclosed
EP-0331507-A1 Polyvinyl chloride plastisol composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1989-09-06 EP disclosed
US-4411699-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 US disclosed
US-3932450-A Intermediates in the preparation of imidazo(2,1-alpha)isoindoles SANDOZ, INC. (US) 1976-01-13 US disclosed