SCHEMBL9709799

SCHEMBL9709799

Cc1cc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2nc(C(=O)O)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.47
BDKRB1 P46663 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.43
VCP P55072 1/20 0.43
AGTR2 P50052 4/20 0.42
AGTR1 P30556 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
RIOX2 Q8IUF8 1/20 0.42
KDM8 Q8N371 1/20 0.42
PPARG P37231 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL9709971 0.93 CD38 (0.52) CD38BDKRB1LTB4R2VCPAGTR2
SCHEMBL3058636 0.84 CD38 (0.56) CD38BDKRB1LTB4R2
SCHEMBL9709886 0.84 AGTR1 (0.46) CD38VCPAGTR2AGTR1
Hydrochloric Acid SCHEMBL9494706 0.83 CD38 (0.55) CD38BDKRB1LTB4R2
SCHEMBL9709869 0.83 AGTR1 (0.43) CD38BDKRB1LTB4R2VCPAGTR2
SCHEMBL9709700 0.83 VCP (0.52) CD38BDKRB1VCPAGTR2AGTR1
SCHEMBL9709660 0.82 AGTR1 (0.45) LTB4R2AGTR2AGTR1
SCHEMBL9709608 0.80 CD38 (0.50) CD38BDKRB1LTB4R2VCPAGTR2
SCHEMBL9709814 0.80 CD38 (0.55) CD38BDKRB1VCPPPARG
SCHEMBL9709749 0.79 CD38 (0.64) CD38BDKRB1PPARG

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