SCHEMBL13355387

SCHEMBL13355387

Cc1cnc2c(n1)NCCC2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.53
NNMT P40261 2/20 0.35
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL13355388 0.88 UHRF1 (0.43) UHRF1NNMT
SCHEMBL19033511 0.76 UHRF1 (0.35) UHRF1NNMTITGB3ITGAV
SCHEMBL362637 0.73 UHRF1 (0.38) UHRF1NNMT
SCHEMBL13693349 0.72 NNMT (0.40) UHRF1NNMT
SCHEMBL4136886 0.70 NPC1 (0.48) NPC1RAB9A
SCHEMBL14763953 0.70 NPC1 (0.43) NPC1RAB9A
SCHEMBL29393274 0.70 NPC1 (0.48) NPC1RAB9A
SCHEMBL30474583 0.69 UHRF1 (0.53) UHRF1NNMTITGB3ITGAV
SCHEMBL279665 0.69 UHRF1 (0.53) UHRF1NNMTITGB3ITGAV
SCHEMBL6325164 0.69 UHRF1 (1.00) UHRF1NNMTNPC1RAB9AIGF1R

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-2010057101-A2 COMPOUNDS USEFUL AS HIV BLOCKERS SCHERING CORPORATION (US) 2010-05-20 WO disclosed