SCHEMBL7435596

SCHEMBL7435596

O=C(O)CN1C(=O)CCSC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL7204874 0.85 CYP2C9 (0.56) CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10431513 0.78 CHRM2 (0.39) RIPK1MEN1KMT2A
SCHEMBL7349406 0.77 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7424303 0.77 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7424298 0.77 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7349416 0.77 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7430706 0.77 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL1938131 0.74 CA12 (0.41) RIPK1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL13501913 0.73 MEN1 (0.56) CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3549503 0.73 CYP2C9 (0.61) CYP2C9CYP2C19MEN1KMT2A

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-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed