SCHEMBL11285232

SCHEMBL11285232

CN1C(=O)C(=C2c3cc([N+](=O)[O-])ccc3-c3c2cccc3[N+](=O)[O-])C(=O)N(C)C1=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.43
S100A4 P26447 4/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CASP1 P29466 1/20 0.42
CASP3 P42574 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
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HSP90AA1 P07900 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 4/20 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
SCHEMBL11292893 0.88 HPRT1 (0.46) PTPRCS100A4NR1H2NR1H3CASP1
SCHEMBL11276858 0.86 PTPRC (0.40) PTPRCS100A4NR1H2NR1H3HSP90AA1
SCHEMBL11285502 0.84 NR1H2 (0.42) PTPRCS100A4NR1H2NR1H3CASP1
SCHEMBL11282918 0.83 CASP1 (0.50) PTPRCS100A4NR1H2NR1H3CASP1
SCHEMBL11280051 0.83 CASP1 (0.52) PTPRCS100A4NR1H2NR1H3CASP1
SCHEMBL11285237 0.81 PTPRC (0.42) PTPRCS100A4NR1H2NR1H3CASP1
SCHEMBL11276864 0.78 PTPRC (0.40) PTPRCS100A4NR1H2NR1H3CASP1
SCHEMBL11281161 0.78 HKDC1 (0.43) NR1H2NR1H3CASP1CASP3CASP4
SCHEMBL8100705 0.75 S100A4 (0.66) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL6262681 0.75 S100A4 (0.71) PTPRCS100A4HSP90AA1BCHEACHE

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