SCHEMBL11280457

SCHEMBL11280457

CN1C(=O)C(=C2c3ccccc3-c3c(Cl)cc(Cl)cc32)C(=O)N(C)C1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NTRK1 P04629 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 3/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
TTR P02766 1/20 0.32
CES1 P23141 1/20 0.32
S100A4 P26447 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32

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
SCHEMBL11289589 0.90 CES1 (0.33) ALDH1A1KMT2AMAPTCES1GABRP
SCHEMBL11285093 0.89 HTT (0.38) CHRM2ADRA2AOPRK1PDE4DCYP1A2
SCHEMBL11290117 0.83 NR1H2 (0.39) KDM4EALDH1A1HPGDCYP1A2KMT2A
SCHEMBL11285533 0.80 CASP3 (0.44) KDM4EALDH1A1HPGDCASP3KMT2A
SCHEMBL11280464 0.77 MEN1 (0.32) CHRM2ADRA2AOPRK1PDE4DHPGD
SCHEMBL11290119 0.74 ALDH1A1 (0.33) CHRM2ADRA2AOPRK1PDE4DKDM4E
SCHEMBL11285075 0.72 MEN1 (0.38) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL11285502 0.72 NR1H2 (0.42) KDM4EALDH1A1CASP3KMT2AMAPT
SCHEMBL11291114 0.71 MEN1 (0.44) KDM4EALDH1A1HPGDKMT2ATP53
SCHEMBL16870940 0.68 TTR (0.54) KDM4ECYP1A2CYP1A1KMT2AMAPT

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