SCHEMBL11285237

SCHEMBL11285237

CSN1C(=O)C(=C2c3cc([N+](=O)[O-])ccc3-c3c2cccc3[N+](=O)[O-])C(=O)N(SC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.42
S100A4 P26447 4/20 0.42
HSP90AA1 P07900 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
HPRT1 P00492 1/20 0.37
SCN2A Q99250 1/20 0.36

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
SCHEMBL11292899 0.89 HPRT1 (0.46) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL11276864 0.88 PTPRC (0.40) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL11285507 0.84 MEN1 (0.39) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL11282924 0.83 PTPRC (0.47) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL11280059 0.83 PTPRC (0.46) PTPRCS100A4BCHEACHECES1
SCHEMBL11285232 0.81 PTPRC (0.43) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL11281196 0.78 HKDC1 (0.42) HSP90AA1MEN1KMT2ACTDSP1ALDH1A1
SCHEMBL11276858 0.78 PTPRC (0.40) PTPRCS100A4HSP90AA1BCHEACHE
SCHEMBL11286251 0.77 HPRT1 (0.43) PTPRCS100A4HSP90AA1MEN1KMT2A
SCHEMBL11285541 0.76 HPRT1 (0.45) 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