SCHEMBL9818907

SCHEMBL9818907

N#CC(C(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
EPHX2 P34913 2/20 0.46
TRPV1 Q8NER1 3/20 0.46
PTGS1 P23219 2/20 0.46
RAPGEF3 O95398 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
RORC P51449 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GSK3B P49841 1/20 0.44
DHODH Q02127 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
MTOR P42345 1/20 0.43
MITF O75030 1/20 0.42

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
SCHEMBL9819042 1.00 MAOB (0.47) MAOBEPHX2TRPV1PTGS1RAPGEF3
SCHEMBL9818928 0.96 EPHX2 (0.50) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9818942 0.90 GSK3B (0.46) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9818938 0.90 TRPV1 (0.47) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9818823 0.90 RHOC (0.49) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9819165 0.90 RHOC (0.49) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9819032 0.90 MLYCD (0.52) EPHX2TRPV1PTGS1RORCNPC1
SCHEMBL9819128 0.90 GSK3B (0.46) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9819082 0.90 TRPV1 (0.60) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4
SCHEMBL9819366 0.90 TRPV1 (0.60) EPHX2TRPV1PTGS1RAPGEF3RAPGEF4

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-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed