SCHEMBL9870638

SCHEMBL9870638

CCCCNC(=O)Nc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
NPY5R Q15761 16/20 0.49
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL21904916 0.83 POLB (0.71) POLBNPY5RKMT2A
SCHEMBL9871568 0.78 POLB (0.60) POLBNPY5RKMT2A
SCHEMBL9870858 0.78 POLB (0.65) POLBNPY5RKMT2ACTSK
SCHEMBL9871019 0.77 POLB (0.57) POLBNPY5RALDH1A1KMT2A
SCHEMBL5759619 0.73 MEN1 (0.61) ALDH1A1KMT2A
SCHEMBL9525617 0.73 POLB (0.71) POLBNPY5RKMT2A
SCHEMBL9184563 0.72 POLB (1.00) POLBNPY5RKMT2A
SCHEMBL9879206 0.71 POLB (0.80) POLBNPY5RKMT2A
SCHEMBL21904831 0.71 POLB (0.52) POLBNPY5R
SCHEMBL9594529 0.71 POLB (0.67) POLBNPY5RKMT2A

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-5059599-A Anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1991-10-22 US disclosed