SCHEMBL13763536

SCHEMBL13763536

C(=C\Nc1ccccn1)\Nc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
PKM P14618 4/20 0.59
TP53 P04637 3/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK10 P53779 1/20 0.54
GFER P55789 1/20 0.54
MAPT P10636 3/20 0.53
CASP1 P29466 1/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
MITF O75030 1/20 0.49
CXCR4 P61073 1/20 0.48
GAA P10253 2/20 0.47
FABP1 P07148 1/20 0.47
FABP6 P51161 1/20 0.47
ATM Q13315 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
SCHEMBL7136008 0.89 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL27469120 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL14797576 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL19112427 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6128216 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4085100 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL18211770 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4085102 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6128215 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL5442488 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PKMTP53

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
US-7563741-B2 Silicone composition which can be crosslinked into an elastomer by hydrosilylation in the presence of carbene-based metal catalysts, and catalysts of this type RHODIA CHIMIE (FR) 2009-07-21 US disclosed
EP-1506251-B1 SILICONE COMPOSITION WHICH CAN BE CROSSLINKED INTO AN ELASTOMER BY HYDROSILYLATION IN THE PRESENCE OF CARBENE-BASED METAL CATALYSTS, AND CATALYSTS OF THIS TYPE RHODIA CHIMIE SA (FR) 2008-10-15 EP disclosed