SCHEMBL9709741

SCHEMBL9709741

CCCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
DHODH Q02127 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.53
PPARG P37231 2/20 0.52
AGTR1 P30556 2/20 0.50
AGTR2 P50052 1/20 0.50
BRS3 P32247 1/20 0.49
ACP1 P24666 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL9709750 0.95 DHODH (0.59) KDM4EDHODHLTB4R2PPARGAGTR1
SCHEMBL9709740 0.93 LTB4R2 (0.51) KDM4EDHODHLTB4R2PPARGAGTR1
SCHEMBL9709569 0.87 PPARG (0.48) KDM4ELTB4R2PPARGAGTR1AGTR2
SCHEMBL3058636 0.86 CD38 (0.56) LTB4R2ACP1
Hydrochloric Acid SCHEMBL9494706 0.85 CD38 (0.55) LTB4R2ACP1
SCHEMBL9709862 0.80 BDKRB1 (0.46) DHODHLTB4R2AGTR1AGTR2
SCHEMBL9709673 0.79 PDE4A (0.47) AGTR1AGTR2ACP1
SCHEMBL9183186 0.79 KDM4E (0.57) KDM4EDHODHPPARGAGTR1AGTR2
SCHEMBL7834869 0.79 DHODH (0.59) DHODHPPARGAGTR1AGTR2BRS3
SCHEMBL9709723 0.78 AGTR1 (0.47) PPARGAGTR1AGTR2

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 1 patent. 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