SCHEMBL11285502

SCHEMBL11285502

CN1C(=O)C(=C2c3ccccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)N(C)C1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HSP90AA1 P07900 2/20 0.39
MAPT P10636 2/20 0.39
PTPRC P08575 3/20 0.39
S100A4 P26447 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HPRT1 P00492 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 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
SCHEMBL11292893 0.91 HPRT1 (0.46) NR1H2NR1H3MEN1KMT2ACTDSP1
SCHEMBL11281161 0.90 HKDC1 (0.43) NR1H2NR1H3MEN1KMT2AMAPT
SCHEMBL11282135 0.85 MEN1 (0.40) NR1H2NR1H3MEN1KMT2ACTDSP1
SCHEMBL11280196 0.84 HTRA2 (0.46) MEN1KMT2ACTDSP1HSP90AA1MAPT
SCHEMBL11285232 0.84 PTPRC (0.43) NR1H2NR1H3MEN1KMT2ACTDSP1
SCHEMBL11285507 0.80 MEN1 (0.39) NR1H2NR1H3MEN1KMT2ACTDSP1
SCHEMBL11280051 0.79 CASP1 (0.52) NR1H2NR1H3MEN1KMT2AMAPT
SCHEMBL11282137 0.77 KDM4E (0.38) NR1H2NR1H3MEN1KMT2ACTDSP1
SCHEMBL11285538 0.77 HPRT1 (0.43) MEN1KMT2ACTDSP1HSP90AA1MAPT
SCHEMBL11282918 0.77 CASP1 (0.50) NR1H2NR1H3MEN1KMT2AHSP90AA1

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