SCHEMBL8987795

SCHEMBL8987795

COCc1nccc(NC(=O)Cc2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
WNT3A P56704 1/20 0.44
LTA4H P09960 2/20 0.43
EPHX2 P34913 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RIOK2 Q9BVS4 2/20 0.43
GSK3A P49840 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK14 Q16539 6/20 0.42
CSNK1D P48730 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL8987866 0.89 ALDH1A1 (0.46) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987904 0.89 CSNK1D (0.47) MAPK10SMN1; SMN2ALDH1A1L3MBTL1LTA4H
SCHEMBL8987800 0.87 LTA4H (0.46) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987760 0.85 LTA4H (0.44) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987985 0.84 MAPK10 (0.47) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987841 0.82 MAPK14 (0.50) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987749 0.82 LTA4H (0.46) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987613 0.81 ANO1 (0.47) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8988002 0.81 MAPK14 (0.49) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A
SCHEMBL8987856 0.80 SMN1; SMN2 (0.45) MAPK10SMN1; SMN2ALDH1A1L3MBTL1WNT3A

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-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed