SCHEMBL13645002

SCHEMBL13645002

CNC(=O)CN(CC(=O)O)c1ccc(N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 6/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.41
MCL1 Q07820 2/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
NR4A1 P22736 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 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
SCHEMBL13644976 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL13645000 0.87 CYP1A1 (0.41) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL13645030 0.86 OPRM1 (0.44) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL13645024 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL13645013 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL12311123 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL13645023 0.83 KEAP1 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL13645034 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDGAA
SCHEMBL9949291 0.80 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL13644974 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD

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