SCHEMBL8788417

SCHEMBL8788417

CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.64
KDM4E B2RXH2 1/20 0.64
ABCC3 O15438 1/20 0.64
ABCC4 O15439 1/20 0.64
USP2 O75604 1/20 0.64
ABCB11 O95342 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CHRM2 P08172 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRA2A P08913 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
CYP2C9 P11712 1/20 0.64
ACE P12821 1/20 0.64
ADRA2C P18825 1/20 0.64
TBXA2R P21731 1/20 0.64
GLRA1 P23415 1/20 0.64
PDE4A P27815 1/20 0.64
HTR2A P28223 1/20 0.64
MAPK1 P28482 1/20 0.64

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
SCHEMBL8790700 0.95 AGTR1 (0.59) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8792531 0.94 PPARG (0.57) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8790005 0.94 PPARG (0.56) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8788083 0.94 PPARG (0.60) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8788890 0.93 PPARG (0.55) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8788048 0.93 PPARG (0.59) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8788502 0.93 PPARG (0.56) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8790183 0.91 PPARG (0.58) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8790250 0.91 PPARG (0.53) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL8788604 0.90 PPARG (0.58) PPARGKDM4EABCC3ABCC4USP2

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 claimed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP claimed
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed