SCHEMBL15440828

SCHEMBL15440828

CCCCNC(=O)NCc1cccc(COC#N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 4/20 0.41
FES P07332 1/20 0.40
RET P07949 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
SYK P43405 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL2702269 0.85 EPHX2 (0.57) EPHX2FAAHSMN1; SMN2EPHX1FES
SCHEMBL15440799 0.80 EPHX2 (0.51) EPHX2FAAHSMN1; SMN2EPHX1FES
SCHEMBL19050209 0.79 TSHR (0.54) SMN1; SMN2ALDH1A1HTT
SCHEMBL23447431 0.78 FBP1 (0.58) EPHX2SMN1; SMN2ALDH1A1
SCHEMBL24185375 0.78 CYP2C9 (0.45) SMN1; SMN2ALDH1A1HTT
SCHEMBL3421197 0.75 EPHX2 (0.73) EPHX2SMN1; SMN2EPHX1KEAP1NFE2L2
SCHEMBL8344039 0.74 EPHX1 (0.51) EPHX2EPHX1FESRETMARK3
SCHEMBL24587569 0.74 TSHR (0.41) SMN1; SMN2ALDH1A1HTT
SCHEMBL17905725 0.73 EPHX2 (0.69) EPHX2FAAHSMN1; SMN2ALDH1A1HTT
SCHEMBL22221566 0.72 EPHX2 (0.71) EPHX2FAAHSMN1; SMN2ALDH1A1HTT

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-20140024795-A1 ALIPHATIC POLYCARBONATE POLYOLS CONTAINING SILYL GROUPS NOVOMER, INC. (US) 2014-01-23 US disclosed