SCHEMBL9709679

SCHEMBL9709679

Cc1cc(NCc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2cccc(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD38 P28907 8/20 0.45
AGTR1 P30556 4/20 0.43
AGTR2 P50052 4/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
KCNH2 Q12809 1/20 0.39
AGT P01019 2/20 0.37
ELANE P08246 1/20 0.36

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
SCHEMBL3061585 0.90 AGTR1 (0.44) CD38AGTR1AGTR2MEN1KMT2A
SCHEMBL9709702 0.82 AGTR1 (0.42) CD38AGTR1AGTR2MEN1KMT2A
SCHEMBL9709873 0.82 AGTR1 (0.45) AGTR1AGTR2AGT
SCHEMBL9709687 0.78 CD38 (0.44) CD38AGTR1AGTR2TP53MEN1
SCHEMBL9709642 0.78 AGTR1 (0.48) CD38AGTR1AGTR2TP53MEN1
SCHEMBL9363742 0.77 CD38 (0.69) CD38TP53MEN1KMT2ACYP3A4
SCHEMBL9709749 0.76 CD38 (0.64) CD38CYP3A4KCNH2
SCHEMBL9093218 0.76 AGTR1 (0.48) AGTR1AGTR2MEN1KMT2AAGT
SCHEMBL8532808 0.76 AGTR1 (0.51) AGTR1AGTR2MEN1KMT2AAGT
SCHEMBL9709718 0.75 AGTR1 (0.42) AGTR1AGTR2AGT

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