SCHEMBL11280059

SCHEMBL11280059

CSN1C(=O)C(=C2c3ccc([N+](=O)[O-])cc3-c3cc([N+](=O)[O-])ccc32)C(=O)N(SC)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.46
S100A4 P26447 2/20 0.46
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
ALOX5 P09917 1/20 0.40
CA12 O43570 2/20 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
SCHEMBL11282924 0.97 PTPRC (0.47) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11292899 0.85 HPRT1 (0.46) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11285382 0.85 PTPRC (0.43) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11285237 0.83 PTPRC (0.42) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11285425 0.83 PTPRC (0.44) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11281196 0.81 HKDC1 (0.42) CASP1CASP3CASP4CASP7CASP9
SCHEMBL11285507 0.80 MEN1 (0.39) PTPRCS100A4ALDH1A1TDP1BCHE
SCHEMBL11282676 0.79 PTPRC (0.49) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11280051 0.75 CASP1 (0.52) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11282918 0.73 CASP1 (0.50) PTPRCS100A4CASP1CASP3CASP4

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