SCHEMBL20009423

SCHEMBL20009423

C/C=C\C(=C/NC=O)c1cc(C)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NFE2L2 Q16236 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32

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) MEN1KMT2ANFE2L2SMN1; SMN2ALOX5
SCHEMBL20008531 0.84
SCHEMBL23624332 0.76 MEN1 (0.39) MEN1KMT2ANFE2L2SMN1; SMN2POLB
SCHEMBL27875965 0.75 NFE2L2 (0.50) MEN1KMT2ANFE2L2SMN1; SMN2POLB
SCHEMBL20008548 0.74 TP53 (0.31) TDP1
SCHEMBL20009603 0.72 MEN1 (0.36) MEN1KMT2ANFE2L2SMN1; SMN2POLB
SCHEMBL20008147 0.71 CASP1 (0.35) TSHR
SCHEMBL20008186 0.70
SCHEMBL11024683 0.69 NFE2L2 (0.54) MEN1KMT2ANFE2L2SMN1; SMN2POLB
SCHEMBL11024692 0.69 NFE2L2 (0.54) MEN1KMT2ANFE2L2SMN1; SMN2POLB

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