SCHEMBL8956402

SCHEMBL8956402

Cc1ccc([S+](CC(=C(C#N)C#N)c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP19A1 P11511 1/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
PTGS2 P35354 1/20 0.31
VCP P55072 1/20 0.31
CYP3A4 P08684 1/20 0.31
TP53 P04637 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
SCHEMBL9003378 0.85 LMNA (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9003692 0.84 PTGS2 (0.33) PTGS2
SCHEMBL13172497 0.78 ALDH1A1 (0.38) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL9003389 0.74
SCHEMBL9003519 0.74 PTGS2 (0.35) PTGS2
SCHEMBL6117869 0.72 ESR1 (0.48) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL29227275 0.72 L3MBTL1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9003645 0.71 ALDH1A1 (0.33) MEN1KMT2AALDH1A1LMNA
SCHEMBL8999045 0.71 CES2 (0.50) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL1930563 0.69 CYP19A1 (0.58) RAB9AMEN1KMT2ACES2CES1

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
EP-0690074-A1 Photopolymerization initiator composition and photopolymerizable composition TOYO INK MANUFACTURING CO., LTD. (JP) 1996-01-03 EP disclosed