SCHEMBL9879206

SCHEMBL9879206

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

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
KMT2A Q03164 2/20 0.58
NPY5R Q15761 11/20 0.54
SCN9A Q15858 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
RIPK1 Q13546 1/20 0.51

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
SCHEMBL9184563 0.89 POLB (1.00) POLBKMT2ANPY5RMAPK1RIPK1
SCHEMBL9592489 0.82 POLB (0.67) POLBKMT2ANPY5RSCN9ACYP2C9
SCHEMBL9525617 0.82 POLB (0.71) POLBKMT2ANPY5RMAPK1
SCHEMBL29827072 0.82 MAPK1 (0.78) KMT2AMAPK1RIPK1
SCHEMBL9594529 0.80 POLB (0.67) POLBKMT2ANPY5R
SCHEMBL21904916 0.80 POLB (0.71) POLBKMT2ANPY5RRIPK1
SCHEMBL9592706 0.80 POLB (0.67) POLBKMT2ANPY5R
SCHEMBL519033 0.79 ALDH1A1 (0.60) POLBKMT2ACYP2C9CYP3A4
SCHEMBL9870858 0.78 POLB (0.65) POLBKMT2ANPY5R
SCHEMBL9593791 0.78 POLB (0.65) POLBKMT2ANPY5R

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