SCHEMBL9709569

SCHEMBL9709569

CCCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2ncccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
KDM4E B2RXH2 2/20 0.47
AGTR1 P30556 5/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
BDKRB1 P46663 3/20 0.46
BRS3 P32247 1/20 0.46
PLK1 P53350 1/20 0.45
AGTR2 P50052 3/20 0.45
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL9709862 0.93 BDKRB1 (0.46) AGTR1LTB4R2BDKRB1AGTR2
SCHEMBL9709741 0.87 KDM4E (0.57) PPARGKDM4EAGTR1LTB4R2BRS3
SCHEMBL9709868 0.85 DHODH (0.46) KDM4EAGTR1BDKRB1BRS3PLK1
SCHEMBL9709750 0.82 DHODH (0.59) PPARGKDM4EAGTR1LTB4R2BRS3
SCHEMBL9709740 0.80 LTB4R2 (0.51) PPARGKDM4EAGTR1LTB4R2AGTR2
SCHEMBL9709803 0.80 AGTR1 (0.41) AGTR1AGTR2PDE4APDE4DPDE3A
SCHEMBL9709660 0.76 AGTR1 (0.45) AGTR1LTB4R2AGTR2ALDH1A1NPSR1
SCHEMBL9709861 0.75 BDKRB1 (0.47) AGTR1BDKRB1AGTR2ADRA1A
SCHEMBL9709925 0.75 PDE4A (0.42) AGTR1AGTR2PDE4APDE4DPDE3A
SCHEMBL9709947 0.74 AGTR1 (0.40) AGTR1BDKRB1AGTR2PDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed