SCHEMBL9709750

SCHEMBL9709750

CCCCc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.57
AGTR1 P30556 1/20 0.54
AGTR2 P50052 1/20 0.54
PLK1 P53350 1/20 0.54
BRS3 P32247 2/20 0.53
PPARG P37231 2/20 0.51
KDM4E B2RXH2 1/20 0.50

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 0.95 KDM4E (0.57) DHODHLTB4R2AGTR1AGTR2PLK1
SCHEMBL9709740 0.92 LTB4R2 (0.51) DHODHLTB4R2AGTR1AGTR2PPARG
SCHEMBL3058636 0.85 CD38 (0.56) LTB4R2
SCHEMBL7834869 0.84 DHODH (0.59) DHODHAGTR1AGTR2BRS3PPARG
Hydrochloric Acid SCHEMBL9494706 0.84 CD38 (0.55) LTB4R2
SCHEMBL9709569 0.82 PPARG (0.48) LTB4R2AGTR1AGTR2PLK1BRS3
SCHEMBL8505737 0.81 DHODH (0.55) DHODHAGTR1AGTR2BRS3PPARG
SCHEMBL9709710 0.80 PDE4A (0.51) AGTR1AGTR2
SCHEMBL9709862 0.79 BDKRB1 (0.46) DHODHLTB4R2AGTR1AGTR2
SCHEMBL9709650 0.79 KDM4E (0.49) LTB4R2KDM4E

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