SCHEMBL2783306

SCHEMBL2783306

N#CC(C#N)=Cc1csc(-c2ccsc2-c2ccsc2-c2ccsc2-c2cccs2)c1C=C(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

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 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2762985 0.86 TRPA1 (0.36) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL14953489 0.86 TRPA1 (0.36) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL14891301 0.84 TRPA1 (0.37) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2783304 0.81 TRPA1 (0.33) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5804669 0.74 KDM4E (0.30) MAPT
SCHEMBL14656756 0.72 ERN1 (0.39) LMNAMAPT
SCHEMBL14953488 0.71 TRPA1 (0.35) TRPA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL22734772 0.68 PTPRC (0.41) NPC1RAB9APOLBMAPTMEN1
SCHEMBL22763791 0.68 PTPRC (0.41) NPC1RAB9APOLBMAPTMEN1
SCHEMBL22763310 0.68 PTPRC (0.41) NPC1RAB9APOLBMAPTMEN1

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