SCHEMBL9709600

SCHEMBL9709600

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.48
AGTR2 P50052 6/20 0.48
VCP P55072 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR35 Q9HC97 1/20 0.40
CD38 P28907 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
SCHEMBL9710208 0.93 AGTR1 (0.47) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL3058746 0.87 AGTR1 (0.50) AGTR1AGTR2MEN1KMT2A
SCHEMBL9709621 0.86 AGTR1 (0.44) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9709886 0.85 AGTR1 (0.46) AGTR1AGTR2VCPMEN1KMT2A
SCHEMBL9709854 0.85 MEN1 (0.63) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9709759 0.85 AGTR1 (0.45) AGTR1AGTR2MEN1KMT2AGPR35
SCHEMBL9709700 0.83 VCP (0.52) AGTR1AGTR2VCPMEN1KMT2A
SCHEMBL9709698 0.83 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9709904 0.81 AGTR1 (0.46) AGTR1AGTR2MEN1KMT2A
SCHEMBL9709809 0.81 AGTR1 (0.45) AGTR1AGTR2CD38

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