SCHEMBL9709868

SCHEMBL9709868

CCCCc1cc(NCc2ccc(-c3ccccc3)c(C(=O)O)c2)c2ncccc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
PLK1 P53350 2/20 0.44
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
BRS3 P32247 2/20 0.42
KDM4E B2RXH2 1/20 0.40
FOLH1 Q04609 1/20 0.40
BDKRB1 P46663 1/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL9709569 0.85 PPARG (0.48) PLK1AGTR1AGTR2BRS3KDM4E
SCHEMBL9709862 0.82 BDKRB1 (0.46) DHODHAGTR1AGTR2BDKRB1
SCHEMBL9709750 0.79 DHODH (0.59) DHODHPLK1AGTR1AGTR2BRS3
SCHEMBL9709925 0.77 PDE4A (0.42) AGTR1AGTR2
SCHEMBL3737185 0.75 FOLH1 (0.63) DHODHAGTR1AGTR2BRS3FOLH1
SCHEMBL9709947 0.75 AGTR1 (0.40) AGTR1AGTR2BDKRB1
SCHEMBL9709741 0.74 KDM4E (0.57) DHODHPLK1AGTR1AGTR2BRS3
SCHEMBL9709803 0.71 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9709740 0.71 LTB4R2 (0.51) DHODHAGTR1AGTR2KDM4E
SCHEMBL7780583 0.71 KAT8 (0.65) PLK1FOLH1

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