SCHEMBL11285147

SCHEMBL11285147

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
PGR P06401 2/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GABRA2 P47869 1/20 0.33
AR P10275 2/20 0.33
BRD1 O95696 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL11278160 0.91 CASP3 (0.43) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL11287708 0.84 ALDH1A1 (0.36) PGRUSP8USP7LMNAMAPT
SCHEMBL11285155 0.79 PGR (0.33) CASP3PGRUSP8USP7LMNA
SCHEMBL11285526 0.76 CASP3 (0.35) CASP3PGRLMNAMAPTALDH1A1
SCHEMBL11287713 0.76 PGR (0.32) CASP3PGRUSP8USP7LMNA
SCHEMBL11285533 0.76 CASP3 (0.44) CASP3LMNATP53MAPTALDH1A1
SCHEMBL11280457 0.74 CHRM2 (0.35) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL11278169 0.71 CASP3 (0.36) CASP3
SCHEMBL11285530 0.68 CASP3 (0.34) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL11285502 0.68 NR1H2 (0.42) CASP3GABRA1GABRG2GABRB3GABRA5

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