SCHEMBL8890934

SCHEMBL8890934

CC(=O)c1ccc2c(Cl)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
MAP2K4 P45985 7/20 0.46
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 2/20 0.40
DYRK1A Q13627 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK1 P28482 2/20 0.39
MAPK6 Q16659 2/20 0.39
KDR P35968 3/20 0.39
CHEK1 O14757 1/20 0.39
SLC2A1 P11166 1/20 0.39
HDAC6 Q9UBN7 3/20 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
SCHEMBL4407745 0.87 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12491369 0.83 MAP2K4 (0.61) MAP2K4KIF11ALDH1A1DYRK1AHPGD
SCHEMBL4404646 0.81 PDPK1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8889530 0.80 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3604450 0.78 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10282869 0.76 ACACB (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4403664 0.76 MAP2K4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7368263 0.74 MAP2K4 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8269417 0.73 ITK (0.50) MAP2K4KIF11MAPK1MAPK6MAP2K7
SCHEMBL31179919 0.72 KIF11 (0.69) KIF11ALDH1A1DYRK1AMAPTHPGD

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-1997012884-A1 HERBICIDAL 6-HETEROCYCLIC INDAZOLE DERIVATIVES FMC CORPORATION (US) 1997-04-10 WO disclosed