SCHEMBL8987654

SCHEMBL8987654

CC(C)c1nccc(NC(=O)Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 3/20 0.51
EPHX2 P34913 2/20 0.47
LTA4H P09960 1/20 0.47
MAPK10 P53779 4/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NTRK1 P04629 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3B P49841 1/20 0.43
MAPK14 Q16539 1/20 0.43
RORC P51449 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
GSK3A P49840 2/20 0.42
MAPK8 P45983 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MCHR1 Q99705 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
SCHEMBL8987778 0.88 CACNA1H (0.51) RIOK2MAPK10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8987841 0.88 MAPK14 (0.50) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987787 0.87 RIOK2 (0.50) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987854 0.85 RIOK2 (0.48) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8988013 0.85 RIOK2 (0.48) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987904 0.83 CSNK1D (0.47) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987987 0.82 RIOK2 (0.47) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987685 0.82 EPHX2 (0.47) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987780 0.81 RIOK2 (0.46) RIOK2EPHX2LTA4HMAPK10ALDH1A1
SCHEMBL8987704 0.80 EPHX2 (0.51) RIOK2EPHX2LTA4HMAPK10ALDH1A1

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