SCHEMBL2783304

SCHEMBL2783304

N#CC(C#N)=Cc1csc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1C=C(C#N)C#N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA1 P30542 2/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL14953488 0.84 TRPA1 (0.35) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2783306 0.81 TRPA1 (0.33) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL4319170 0.70 MEN1 (0.47) NPC1LMNARAB9ASMN1; SMN2POLB
SCHEMBL14891301 0.69 TRPA1 (0.37) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL15120728 0.68 DPP4 (0.39) NPC1LMNARAB9ASMN1; SMN2POLB
SCHEMBL2762985 0.68 TRPA1 (0.36) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL14953489 0.68 TRPA1 (0.36) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL15105974 0.65 DPP4 (0.54) NPC1LMNARAB9ASMN1; SMN2POLB
SCHEMBL17466939 0.63 KMT2A (0.57) NPC1LMNARAB9ASMN1; SMN2POLB
SCHEMBL6239735 0.62 KMT2A (0.36) NPC1LMNARAB9ASMN1; SMN2POLB

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
EP-2212936-A1 USE OF HALOGENATED PHTHALOCYANINES BASF SE (DE) 2010-08-04 EP disclosed
WO-2009056626-A1 USE OF HALOGENATED PHTHALOCYANINES BASF SE (DE) 2009-05-07 WO disclosed