SCHEMBL11285347

SCHEMBL11285347

CCN1C(=O)C(=C2c3ccc([N+](=O)[O-])cc3-c3cc([N+](=O)[O-])ccc32)C(=O)N(CC)C1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.45
ALOX5 P09917 1/20 0.44
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
CASP1 P29466 2/20 0.43
CASP3 P42574 2/20 0.43
CASP4 P49662 2/20 0.43
CASP7 P55210 2/20 0.43
CASP9 P55211 2/20 0.43
CASP6 P55212 2/20 0.43
CYP1A2 P05177 1/20 0.43
ACHE P22303 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BCHE P06276 1/20 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
SCHEMBL11285423 0.97 PTPRC (0.45) RPS6KA2ALOX5PTPRCS100A4CASP1
SCHEMBL11284358 0.86 HPRT1 (0.44) RPS6KA2ALOX5PTPRCS100A4CASP1
SCHEMBL11276858 0.84 PTPRC (0.40) ALOX5PTPRCS100A4ACHEALDH1A1
SCHEMBL11280051 0.82 CASP1 (0.52) ALOX5PTPRCS100A4CASP1CASP3
SCHEMBL11290531 0.82 HKDC1 (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL11282135 0.81 MEN1 (0.40) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL11282918 0.80 CASP1 (0.50) ALOX5PTPRCS100A4CASP1CASP3
SCHEMBL30070354 0.78 ALOX5 (0.62) RPS6KA2ALOX5PTPRCS100A4ACHE
SCHEMBL6207633 0.78 ALOX5 (0.62) RPS6KA2ALOX5PTPRCS100A4ACHE
SCHEMBL11285382 0.75 PTPRC (0.43) RPS6KA2ALOX5PTPRCS100A4CASP1

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