SCHEMBL8893307

SCHEMBL8893307

COc1ccc2nc3cc(Cl)ccc3c(C(N)CCN(CCCN)CCCN)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CASP1 P29466 3/20 0.54
▸ CASP7 P55210 3/20 0.54
▸ HBB P68871 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ BRCA1 P38398 2/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ PRNP P04156 1/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ CHRM4 P08173 1/20 0.54
▸ ABCB1 P08183 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ CHRM5 P08912 1/20 0.54
▸ ADRA2A P08913 1/20 0.54

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
SCHEMBL8891807 0.98 USP2 (0.52) USP2TP53CYP3A4CASP1CASP7
SCHEMBL8889980 0.97 USP2 (0.53) USP2TP53CYP3A4CASP1CASP7
SCHEMBL8902682 0.94 USP2 (0.52) USP2TP53CYP3A4CASP1CASP7
SCHEMBL8892466 0.94 USP2 (0.54) USP2TP53CYP3A4CASP1CASP7
SCHEMBL14810439 0.87 KDM4E (0.51) USP2TP53CYP3A4CASP1CASP7
SCHEMBL8891204 0.85 USP2 (0.54) USP2TP53CYP3A4CASP1CASP7
SCHEMBL15732771 0.81 USP2 (0.57) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13739319 0.80 USP2 (0.49) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13739384 0.80 USP2 (0.45) USP2TP53CYP3A4CASP1CASP7
SCHEMBL8893297 0.80 ADORA2A (0.70) USP2TP53CYP3A4CASP1CASP7

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-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 — — WO claimed
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