SCHEMBL20009603

SCHEMBL20009603

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL20009423 0.72 MEN1 (0.36) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL27875965 0.71 NFE2L2 (0.50) MEN1KMT2ASMN1; SMN2POLBNFE2L2
SCHEMBL24000666 0.69 KMT2A (0.51) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL25732408 0.67 CYP2D6 (0.40) MEN1KMT2AGAASMN1; SMN2NFE2L2
SCHEMBL18432619 0.65 MEN1 (0.35) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL11024692 0.64 NFE2L2 (0.54) MEN1KMT2ASMN1; SMN2POLBNFE2L2
SCHEMBL11024683 0.64 NFE2L2 (0.54) MEN1KMT2ASMN1; SMN2POLBNFE2L2
SCHEMBL25797292 0.64 MEN1 (0.34) MEN1KMT2ASMN1; SMN2NFE2L2TSHR
SCHEMBL20009422 0.63 MEN1 (0.33) MEN1KMT2ASMN1; SMN2NFE2L2HSD17B10
SCHEMBL24000797 0.63 MEN1 (0.39) MEN1KMT2AGAASMN1; 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