SCHEMBL7983629

SCHEMBL7983629

COC(=O)c1cc(C(N)CCCC=S)c(SC)s1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.31
KDR P35968 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
C1S P09871 1/20 0.30

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
SCHEMBL7983624 0.73 HPGD (0.34) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL7983633 0.68 POLB (0.34) KEAP1NFE2L2C1S
SCHEMBL5839757 0.67 KEAP1 (0.41) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL6921023 0.66 CSNK2A2 (0.38) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL6923952 0.64 KEAP1 (0.41) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL7983631 0.64 ALDH1A1 (0.33) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL6920646 0.64 ALDH1A1 (0.40) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL6925163 0.63 KEAP1 (0.47) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL6925497 0.63 KEAP1 (0.41) CSNK2A2KDRCSNK2BCSNK2A1KEAP1
SCHEMBL13738636 0.63 KDM4E (0.42) CSNK2A2KDRCSNK2BCSNK2A1KEAP1

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-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed