SCHEMBL11281196

SCHEMBL11281196

CSN1C(=O)C(=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)N(SC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.42
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
GRK5 P34947 1/20 0.38
LIMK1 P53667 1/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
GPR35 Q9HC97 2/20 0.35
HPRT1 P00492 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
POLB P06746 1/20 0.34

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 0.90 HPRT1 (0.46) HKDC1ALDH1A1KMT2AMEN1HPRT1
SCHEMBL11285507 0.90 MEN1 (0.39) HKDC1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11290539 0.86 HKDC1 (0.40) HKDC1CHEK1DAPK3GRK5LIMK1
SCHEMBL11283800 0.81 ALDH1A1 (0.41) HKDC1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11280059 0.81 PTPRC (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11285237 0.78 PTPRC (0.42) ALDH1A1KMT2AMEN1HPRT1CASP1
SCHEMBL11282924 0.78 PTPRC (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11282137 0.78 KDM4E (0.38) HKDC1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11286251 0.78 HPRT1 (0.43) HKDC1ALDH1A1KMT2AMEN1HPRT1
SCHEMBL11281161 0.77 HKDC1 (0.43) HKDC1CHEK1DAPK3GRK5LIMK1

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