SCHEMBL20009422

SCHEMBL20009422

C=CN/C=C(\C=C/C)c1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 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
SCHEMBL20008548 0.85 TP53 (0.31)
SCHEMBL20008147 0.85 CASP1 (0.35) TSHR
SCHEMBL20009423 0.85 MEN1 (0.36) MEN1KMT2ASMN1; SMN2NFE2L2ALOX5
SCHEMBL20008186 0.84
SCHEMBL20009414 0.82 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL20008523 0.75 LMNA (0.34) SMN1; SMN2LMNA
SCHEMBL27875965 0.72 NFE2L2 (0.50) MEN1KMT2ASMN1; SMN2NFE2L2TSHR
SCHEMBL20009099 0.71
SCHEMBL20008531 0.70
SCHEMBL25732408 0.68 CYP2D6 (0.40) MEN1KMT2ASMN1; SMN2NFE2L2ALOX5

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed