SCHEMBL8775778

SCHEMBL8775778

NC(=O)N(O)CCCC(c1cccnc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.44
TBXAS1 P24557 3/20 0.44
KCNH2 Q12809 1/20 0.43
PNMT P11086 1/20 0.41
ROCK2 O75116 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TBXA2R P21731 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
EPHX1 P07099 2/20 0.38
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL8775800 0.86 TBXAS1 (0.46) KCNA5TBXAS1KCNH2ROCK2EPHX2
SCHEMBL8775928 0.84 TBXAS1 (0.60) KCNA5TBXAS1EPHX2
SCHEMBL8775891 0.81 TBXAS1 (0.62) TBXAS1TBXA2REPHX2
SCHEMBL8775806 0.81 KCNA5 (0.52) KCNA5TBXAS1KCNH2PNMTROCK2
SCHEMBL8776095 0.80 TBXAS1 (0.64) TBXAS1TBXA2REPHX2
SCHEMBL8775863 0.80 TBXAS1 (0.64) TBXAS1TBXA2REPHX2
SCHEMBL8775884 0.80 TBXAS1 (0.64) TBXAS1TBXA2REPHX2
SCHEMBL8775780 0.80 TBXAS1 (0.64) TBXAS1TBXA2REPHX2
SCHEMBL8775772 0.79 TBXAS1 (0.51) TBXAS1TRPM8TBXA2RTP53EPHX2
SCHEMBL8775861 0.77 TBXAS1 (0.56) KCNA5TBXAS1KCNH2EPHX2

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
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed