SCHEMBL7879568

SCHEMBL7879568

CC1=C(C#N)[C@@H](c2ccc(C#N)cc2[S@@](C)(=N)=O)NC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.46
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 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
SCHEMBL586624 0.72 ELANE (0.87) ELANECYP2C19
SCHEMBL15866528 0.72 ELANE (0.87) ELANECYP2C19
SCHEMBL2117342 0.72 ELANE (0.87) ELANECYP2C19
SCHEMBL2631138 0.72 ELANE (0.65) ELANECYP2C19
SCHEMBL2116319 0.72 ELANE (0.87) ELANECYP2C19
SCHEMBL6315181 0.68 MEN1 (0.49)
SCHEMBL7391000 0.67 ELANE (0.43) ELANE
SCHEMBL6314271 0.67 TP53 (0.47) CYP2C19
SCHEMBL6321503 0.67 USP2 (0.57)
SCHEMBL6312587 0.66 MAPK1 (0.51)

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
WO-2010115548-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 WO disclosed