SCHEMBL11291117

SCHEMBL11291117

CCSN1C(=O)C(=C2c3cc(Cl)cc(Cl)c3-c3c(Cl)cc(Cl)cc32)C(=O)N(SCC)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.33
DNMT1 P26358 1/20 0.33
DPP4 P27487 2/20 0.32
CYP3A4 P08684 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 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
SCHEMBL11285080 0.92 DPP4 (0.35) DPP4CYP3A4DPP8DPP9
SCHEMBL11290119 0.91 ALDH1A1 (0.33) DPP4CYP3A4DPP8DPP9
SCHEMBL11289615 0.83 CES1 (0.32) CES1DNMT1
SCHEMBL11285099 0.77 S100A4 (0.34) DPP4CYP3A4DPP8DPP9
SCHEMBL11280464 0.74 MEN1 (0.32) DPP4DPP8DPP9
SCHEMBL11282586 0.74 CA12 (0.37) CES1
SCHEMBL11282573 0.72 CASP3 (0.31)
SCHEMBL11291114 0.71 MEN1 (0.44)
SCHEMBL11287713 0.68 PGR (0.32)
SCHEMBL11289589 0.68 CES1 (0.33) CES1DNMT1

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-4349618-A 5-DIPHENYLMETHYLENE- OR 5-(FLUOREN-9-YLIDENE) THIOBARBITURIC ACID AND DERIVATIVES AS SENSITIZERS FOR N-VVINYLCARBAZOLE POLYMERS; ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US disclosed