SCHEMBL8790028

SCHEMBL8790028

Cc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.57
GALR3 O60755 2/20 0.46
NR2F2 P24468 2/20 0.46
RAB9A P51151 2/20 0.46
TNF P01375 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
ACE P12821 1/20 0.46
ADRA2C P18825 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
SCHEMBL8789971 0.90 PPARG (0.65) PPARGRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL9094539 0.88 PPARG (0.77) PPARGKDM4EALDH1A1HSD17B10ABCC3
SCHEMBL9095451 0.86 PPARG (0.69) PPARGKDM4EALDH1A1HSD17B10ABCC3
SCHEMBL9094852 0.82 PPARG (0.79) PPARGKDM4EALDH1A1HSD17B10ABCC3
SCHEMBL6170465 0.80 PPARG (0.52) PPARGAGTR1SPHK1
SCHEMBL29390517 0.80 PPARG (0.73) PPARGKDM4EALDH1A1HSD17B10ABCC3
SCHEMBL2020774 0.80 PPARG (0.73) PPARGKDM4EALDH1A1HSD17B10ABCC3
SCHEMBL7303983 0.80 PPARG (0.53) PPARGKDM4EALDH1A1HSD17B10ABCC3
SCHEMBL8791687 0.79 GALR3 (0.43) PPARGGALR3NR2F2RAB9ATNF
SCHEMBL7304123 0.79 PPARG (0.68) PPARGKDM4EALDH1A1HSD17B10ABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed