SCHEMBL9003645

SCHEMBL9003645

CC(C[S+](c1ccccc1)c1ccccc1)=C(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL9003646 0.73 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1
SCHEMBL8956402 0.71 NPC1 (0.38) ALDH1A1KMT2AMEN1LMNA
SCHEMBL11010613 0.71 CES2 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL13172497 0.70 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNA
SCHEMBL3094764 0.66 EGFR (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL178769 0.63 ALDH1A1 (0.48) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL6117869 0.63 ESR1 (0.48) ALDH1A1KMT2AMEN1LMNA
SCHEMBL2330045 0.62 GSK3B (0.53) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL766884 0.61 TP53 (0.41) ALDH1A1KMT2AMEN1LMNA
SCHEMBL9791325 0.61 EGFR (0.56) ALDH1A1KMT2AMEN1LMNA

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed