SCHEMBL5157580

SCHEMBL5157580

CC(O)CNC(=O)c1cccc(C=CCCCC#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 4/20 0.40
ATM Q13315 1/20 0.40
CYP24A1 Q07973 2/20 0.39
SMPD1 P17405 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSL P07711 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSB P07858 2/20 0.36
PRMT5 O14744 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
CTSV O60911 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL5159515 0.87 SMPD1 (0.48) GAAKMT2AHSD17B10NAMPTATM
SCHEMBL5157915 0.84 GAA (0.44) GAAKMT2AHSD17B10NAMPTATM
SCHEMBL20810440 0.84 PTPRC (0.41) GAAKMT2AHSD17B10CYP24A1HDAC3
SCHEMBL5157370 0.84 KMT2A (0.43) GAAKMT2AHSD17B10NAMPTATM
SCHEMBL20810391 0.83 MAPK1 (0.46) GAAKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5160107 0.83 KMT2A (0.42) GAAKMT2AHSD17B10NAMPTATM
SCHEMBL2623657 0.82 CNR1 (0.42) ATMALDH1A1CTSLSMN1; SMN2CTSB
SCHEMBL2763063 0.82 CNR1 (0.42) ATMALDH1A1CTSLSMN1; SMN2CTSB
SCHEMBL2763061 0.82 CNR1 (0.42) ATMALDH1A1CTSLSMN1; SMN2CTSB
SCHEMBL17049468 0.82 CNR1 (0.42) ATMALDH1A1CTSLSMN1; SMN2CTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745011-A2 MODULATORS OF CANNABINOID RECEPTORS UCL Biomedica plc (GB) 2007-01-24 EP disclosed
WO-2005080316-A2 MODULATORS OF CANNABINOID RECEPTORS UCL BIOMEDICA PLC. (GB) 2005-09-01 WO disclosed