SCHEMBL8317404

SCHEMBL8317404

CN(O)C(=O)/C=C/c1ccc(C(NC(=O)c2ccccc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.49
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP3 P42574 1/20 0.48
CYP1B1 Q16678 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
MMP13 P45452 1/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B3 P37058 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44

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
SCHEMBL8322250 0.83 ALDH1A1 (0.53) SNCAMAPTKMT2ANPC1RAB9A
SCHEMBL8321364 0.83 MAPT (0.50) SNCAMAPTKMT2ANPC1RAB9A
SCHEMBL8317458 0.80 PKM (0.49) SNCAMAPTKMT2ANPC1RAB9A
SCHEMBL8314608 0.74 ALDH1A1 (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15087635 0.73 CNR2 (0.71) SNCAMAPTKMT2ANPC1RAB9A
SCHEMBL10457551 0.72 ALOX5 (0.67) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8993860 0.72 ALOX5 (0.67) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3448404 0.72 MAPT (0.88) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4582427 0.72 MAPT (0.88) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3448406 0.72 MAPT (0.88) MAPTKMT2ANPC1RAB9ASMN1; 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
WO-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed