SCHEMBL9869664

SCHEMBL9869664

Cc1cc(=O)c(N(C)C)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
NPY5R Q15761 12/20 0.50
KMT2A Q03164 2/20 0.48
CTSK P43235 2/20 0.46
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9525617 0.82 POLB (0.71) POLBNPY5RKMT2AMEN1MAPT
SCHEMBL9592489 0.82 POLB (0.67) POLBNPY5RKMT2ACTSKCYP1A2
SCHEMBL9594529 0.82 POLB (0.67) POLBNPY5RKMT2A
SCHEMBL9593791 0.80 POLB (0.65) POLBNPY5RKMT2ACTSKCYP1A2
SCHEMBL9870858 0.80 POLB (0.65) POLBNPY5RKMT2ACTSK
SCHEMBL9184563 0.79 POLB (1.00) POLBNPY5RKMT2A
SCHEMBL13523080 0.78 POLB (0.61) POLBNPY5RKMT2AGAAMAPT
SCHEMBL29576667 0.78 POLB (0.61) POLBNPY5RKMT2AGAAMAPT
SCHEMBL9879206 0.78 POLB (0.80) POLBNPY5RKMT2A
SCHEMBL12167439 0.77 POLB (0.57) POLBNPY5RKMT2AALDH1A1L3MBTL1

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