SCHEMBL17907899

SCHEMBL17907899

CCSCC(C)(O)c1cc2nc(C#N)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
NQO1 P15559 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12330651 0.80 CHEK1 (0.34) AR
SCHEMBL12948641 0.72 CSNK1D (0.37) ARCSNK1DCSNK1G2
SCHEMBL979616 0.71 AR (0.40) AR
SCHEMBL22533604 0.67 NQO1 (0.44) NQO1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL29424846 0.67 NQO1 (0.44) NQO1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL12922620 0.65 AR (0.34) AR
SCHEMBL12922623 0.65 AR (0.32) AR
SCHEMBL12922597 0.64 AR (0.32) AR
SCHEMBL980415 0.64 AR (0.44) AR
SCHEMBL22533665 0.64 NQO1 (0.41) NQO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756109-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-07-13 EP claimed
EP-1756109-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-07-13 EP disclosed