SCHEMBL20009414

SCHEMBL20009414

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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 0.82 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL20008147 0.69 CASP1 (0.35)
SCHEMBL20008548 0.69 TP53 (0.31)
SCHEMBL20009423 0.68 MEN1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL20008186 0.68
SCHEMBL20009402 0.65 MEN1 (0.32) MEN1KMT2A
SCHEMBL18432558 0.64 MEN1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL20008155 0.63 HSD17B10 (0.33) MEN1KMT2A
SCHEMBL20008495 0.61 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL21507836 0.61 MEN1 (0.35) MEN1KMT2ASMN1; SMN2

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