SCHEMBL11021063

SCHEMBL11021063

COc1ccc(-c2c[nH]c(=O)c(C#N)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.49
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 0.43
IDO1 P14902 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HTT P42858 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
GRM2 Q14416 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
SCHEMBL11025377 0.82 MCL1 (0.50) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL11017001 0.82 KDM4E (0.50) PIM1MAPTKDM4EMEN1KMT2A
SCHEMBL11026081 0.82 PARP1 (0.50) PIM1KDM4EMEN1KMT2AHPGD
SCHEMBL11023115 0.79 PDE3B (0.50) MAPTKDM4EMEN1KMT2AGLA
SCHEMBL1162742 0.79 PIM1 (0.54) PIM1MAPTKDM4EMEN1KMT2A
SCHEMBL11020943 0.77 PIM1 (0.42) PIM1MAPTKDM4EMEN1KMT2A
SCHEMBL11019014 0.76 HTT (0.49) PIM1MAPTKDM4EMEN1KMT2A
SCHEMBL22283897 0.75 ADORA1 (0.51) PIM1MAPTKDM4EMEN1KMT2A
SCHEMBL11023464 0.74 KDM4E (0.46) PIM1MAPTKDM4EMEN1KMT2A
SCHEMBL5504712 0.73 HPGD (0.52) MAPTKDM4EMEN1KMT2AGLA

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
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed