SCHEMBL20008548

SCHEMBL20008548

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 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
SCHEMBL20009422 0.85 MEN1 (0.33)
SCHEMBL20008147 0.83 CASP1 (0.35)
SCHEMBL20008186 0.82
SCHEMBL20009423 0.74 MEN1 (0.36) TDP1
SCHEMBL20008523 0.71 LMNA (0.34)
SCHEMBL20008531 0.70
SCHEMBL20009099 0.69
SCHEMBL20009414 0.69 MEN1 (0.33)
SCHEMBL17402635 0.66 MCL1 (0.44) TP53TDP1TRPA1
SCHEMBL16069338 0.66 PTGS2 (0.46) TP53TRPA1

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