SCHEMBL8317458

SCHEMBL8317458

CN(C)c1ccc(C(NC(=O)c2ccccc2)c2cccc(/C=C/C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR3 Q99500 1/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.45
KCNK3 O14649 1/20 0.44
LMNA P02545 3/20 0.43
HPGDS O60760 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL8313475 0.88 ALDH1A1 (0.48) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8317462 0.82 KMT2A (0.40) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8317404 0.80 SNCA (0.49) PKMMAPTKMT2ANPC1RAB9A
SCHEMBL8322250 0.79 ALDH1A1 (0.53) PKMMAPTKMT2ANPC1RAB9A
SCHEMBL8314600 0.79 PKM (0.58) PKMNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8320373 0.77 HDAC1 (0.57) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8321364 0.77 MAPT (0.50) PKMMAPTKMT2ANPC1RAB9A
SCHEMBL8318925 0.76 HDAC1 (0.53) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8322075 0.76 RXRA (0.46) PKMMAPTKMT2AALDH1A1HPGDS
SCHEMBL8314608 0.75 ALDH1A1 (0.55) 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