SCHEMBL13645013

SCHEMBL13645013

CNC(=O)CN(CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NOX1 Q9Y5S8 1/20 0.43
AGTR1 P30556 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
MITF O75030 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL13645030 0.90 OPRM1 (0.44) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13644999 0.87 LMNA (0.50) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13645002 0.84 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13645000 0.84 CYP1A1 (0.41) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7398832 0.83 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13645024 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13603857 0.81 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7402095 0.81 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13645003 0.81 CYP1A2 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13645023 0.80 KEAP1 (0.50) ALDH1A1MAPTNPC1RAB9AMEN1

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
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed