SCHEMBL9709740

SCHEMBL9709740

CCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.51
ACP1 P24666 3/20 0.50
DHODH Q02127 1/20 0.50
PDE10A Q9Y233 1/20 0.50
PDE7A Q13946 1/20 0.48
PDE7B Q9NP56 1/20 0.48
AGTR1 P30556 3/20 0.47
AGTR2 P50052 3/20 0.47
KDM4E B2RXH2 1/20 0.46
PPARG P37231 2/20 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
SCHEMBL9709741 0.93 KDM4E (0.57) LTB4R2ACP1DHODHAGTR1AGTR2
SCHEMBL9709750 0.92 DHODH (0.59) LTB4R2DHODHAGTR1AGTR2KDM4E
SCHEMBL9709862 0.87 BDKRB1 (0.46) LTB4R2DHODHAGTR1AGTR2
SCHEMBL3058636 0.87 CD38 (0.56) LTB4R2ACP1PDE7APDE7B
Hydrochloric Acid SCHEMBL9494706 0.86 CD38 (0.55) LTB4R2ACP1PDE7APDE7B
SCHEMBL9709723 0.85 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9709660 0.81 AGTR1 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL9709569 0.80 PPARG (0.48) LTB4R2AGTR1AGTR2KDM4EPPARG
SCHEMBL9177090 0.79 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9494718 0.78 ACP1 (0.54) ACP1AGTR1AGTR2KDM4E

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