SCHEMBL9709814

SCHEMBL9709814

Cc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2cc(C(N)=O)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 7/20 0.55
VCP P55072 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 6/20 0.45
AR P10275 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BDKRB1 P46663 1/20 0.44

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
SCHEMBL9709700 0.93 VCP (0.52) CD38VCPMEN1KMT2APPARG
SCHEMBL3058636 0.87 CD38 (0.56) CD38BDKRB1
Hydrochloric Acid SCHEMBL9494706 0.86 CD38 (0.55) CD38BDKRB1
SCHEMBL9709608 0.85 CD38 (0.50) CD38VCPMEN1KMT2ABDKRB1
SCHEMBL9709793 0.85 AR (0.45) CD38VCPPPARGARALDH1A1
SCHEMBL9709971 0.84 CD38 (0.52) CD38VCPBDKRB1
SCHEMBL9710208 0.83 AGTR1 (0.47) CD38MEN1KMT2AAR
SCHEMBL9709621 0.81 AGTR1 (0.44) CD38MEN1KMT2ABDKRB1
SCHEMBL9709799 0.80 CD38 (0.47) CD38VCPPPARGBDKRB1
SCHEMBL9709749 0.79 CD38 (0.64) CD38PPARGBDKRB1

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 disclosed