SCHEMBL8987685

SCHEMBL8987685

CCCCc1nccc(NC(=O)Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
LTA4H P09960 1/20 0.47
RIOK2 Q9BVS4 1/20 0.45
MCHR1 Q99705 1/20 0.44
CSNK1D P48730 1/20 0.43
RORC P51449 3/20 0.43
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK10 P53779 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.41
MAPK14 Q16539 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
MKNK1 Q9BUB5 2/20 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
SCHEMBL8988013 0.90 RIOK2 (0.48) EPHX2LTA4HRIOK2MCHR1CSNK1D
SCHEMBL8987760 0.89 LTA4H (0.44) EPHX2LTA4HKDRANO1SMN1; SMN2
SCHEMBL8987736 0.88 SMN1; SMN2 (0.44) RIOK2CSNK1DSMN1; SMN2MAPK10ALDH1A1
SCHEMBL8987904 0.86 CSNK1D (0.47) EPHX2LTA4HRIOK2CSNK1DRORC
SCHEMBL8987787 0.83 RIOK2 (0.50) EPHX2LTA4HRIOK2CSNK1DRORC
SCHEMBL8987800 0.83 LTA4H (0.46) EPHX2LTA4HKDRANO1SMN1; SMN2
SCHEMBL8987854 0.82 RIOK2 (0.48) EPHX2LTA4HRIOK2CSNK1DRORC
SCHEMBL8987654 0.82 RIOK2 (0.51) EPHX2LTA4HRIOK2MCHR1CSNK1D
SCHEMBL8988044 0.82 MAPK10 (0.44) RIOK2MCHR1CSNK1DRORCSMN1; SMN2
SCHEMBL8987987 0.79 RIOK2 (0.47) EPHX2LTA4HRIOK2CSNK1DRORC

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