SCHEMBL3723653

SCHEMBL3723653

CC(C)c1ccc2c(C(=O)C(N)=O)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
EIF4A3 P38919 2/20 0.43
NR4A2 P43354 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
HTR1D P28221 1/20 0.40
CFTR P13569 1/20 0.40
KIF11 P52732 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL1558774 0.87 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3714231 0.80 NR4A2 (0.63) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3716737 0.77 NR4A2 (0.61) NR4A2ALDH1A1ATMKMT2A
SCHEMBL3714077 0.77 TDO2 (0.50) ALDH1A1ATM
SCHEMBL24143372 0.77 CYP2A6 (0.49) NR4A2ALDH1A1ATMKMT2A
SCHEMBL13044040 0.77 RAB9A (0.66) NR4A2CFTRKMT2A
SCHEMBL1558362 0.77 POLB (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3127989 0.77 MAPT (0.66) NR4A2ALDH1A1KMT2A
SCHEMBL1559397 0.76 ALDH1A1 (0.65) ALDH1A1KMT2A
SCHEMBL23612416 0.75 MAPT (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO disclosed