SCHEMBL8317462

SCHEMBL8317462

CCCCCONC(=O)/C=C/c1cccc(C(NC(=O)c2ccccc2)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CNR2 P34972 3/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL8317458 0.82 PKM (0.49) KMT2AMEN1CNR2ALDH1A1MAPT
SCHEMBL8320461 0.73 EGFR (0.52) KMT2AMEN1TAAR1ALDH1A1MAPT
SCHEMBL8321364 0.73 MAPT (0.50) KMT2AMEN1CNR2ALDH1A1MAPT
SCHEMBL8320373 0.71 HDAC1 (0.57) KMT2AMEN1CNR2ALDH1A1MAPT
SCHEMBL8313475 0.71 ALDH1A1 (0.48) KMT2AMEN1CNR2ALDH1A1MAPT
SCHEMBL27880928 0.71 EGFR (0.59) KMT2AALDH1A1HTTHDAC3HDAC1
SCHEMBL8324894 0.70 KMT2A (0.50) KMT2AMEN1TAAR1ALDH1A1MAPT
SCHEMBL8318925 0.70 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL8314172 0.70 LMNA (0.47) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL8317404 0.70 SNCA (0.49) KMT2AMEN1ALDH1A1MAPTNPSR1

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