SCHEMBL11285382

SCHEMBL11285382

CCSN1C(=O)C(=C2c3ccc([N+](=O)[O-])cc3-c3cc([N+](=O)[O-])ccc32)C(=O)N(SCC)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.43
S100A4 P26447 2/20 0.43
CASP3 P42574 2/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL11285425 0.97 PTPRC (0.44) PTPRCS100A4CASP3CASP1CASP4
SCHEMBL11286251 0.86 HPRT1 (0.43) PTPRCS100A4CASP3CASP1CASP4
SCHEMBL11280059 0.85 PTPRC (0.46) PTPRCS100A4CASP3CASP1CASP4
SCHEMBL11276864 0.84 PTPRC (0.40) PTPRCS100A4CASP3CASP1CASP4
SCHEMBL11282924 0.83 PTPRC (0.47) PTPRCS100A4CASP3CASP1CASP4
SCHEMBL11290539 0.82 HKDC1 (0.40) CASP3CASP1CASP4CASP7CASP9
SCHEMBL11282137 0.81 KDM4E (0.38) PTPRCS100A4ALDH1A1TDP1HSP90AA1
SCHEMBL11282676 0.76 PTPRC (0.49) PTPRCS100A4CASP3CASP1CASP4
SCHEMBL11282586 0.75 CA12 (0.37) PTPRCS100A4CASP3RPS6KA2ALDH1A1
SCHEMBL11285347 0.75 RPS6KA2 (0.45) PTPRCS100A4CASP3CASP1CASP4

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