SCHEMBL8775800

SCHEMBL8775800

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
KCNA5 P22460 2/20 0.41
KCNH2 Q12809 1/20 0.41
CYP19A1 P11511 1/20 0.40
EPHX2 P34913 2/20 0.39
PKM P14618 1/20 0.39
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ROCK2 O75116 1/20 0.37
PDE4D Q08499 1/20 0.36

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
SCHEMBL8775928 0.87 TBXAS1 (0.60) TBXAS1KCNA5EPHX2GRM8GRM4
SCHEMBL8775778 0.86 KCNA5 (0.44) TBXAS1KCNA5KCNH2EPHX2ROCK2
SCHEMBL8775891 0.83 TBXAS1 (0.62) TBXAS1EPHX2GRM8GRM4
SCHEMBL8775863 0.82 TBXAS1 (0.64) TBXAS1EPHX2GRM8GRM4
SCHEMBL8776095 0.82 TBXAS1 (0.64) TBXAS1EPHX2GRM8GRM4
SCHEMBL8775780 0.82 TBXAS1 (0.64) TBXAS1EPHX2GRM8GRM4
SCHEMBL8775884 0.82 TBXAS1 (0.64) TBXAS1EPHX2GRM8GRM4
SCHEMBL8775772 0.82 TBXAS1 (0.51) TBXAS1EPHX2GRM8GRM4PDE4D
SCHEMBL8775861 0.80 TBXAS1 (0.56) TBXAS1KCNA5KCNH2EPHX2GRM8
SCHEMBL8775850 0.79 TBXAS1 (0.48) TBXAS1KCNA5EPHX2PDE4D

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