SCHEMBL8356174

SCHEMBL8356174

CC(=O)c1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
PRKAB2 O43741 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
MAP2K4 P45985 7/20 0.51
MAPK1 P28482 5/20 0.51
MAPK6 Q16659 5/20 0.51
MAPKAPK3 Q16644 4/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
JAK2 O60674 3/20 0.46
JAK1 P23458 2/20 0.46
HAO1 Q9UJM8 1/20 0.45
ITK Q08881 1/20 0.43
KIF11 P52732 1/20 0.41

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
SCHEMBL22753252 0.85 MAP2K4 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2671620 0.84 JAK2 (0.49) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13387003 0.83 YTHDC1 (0.61) PRKAG1PRKAA1PRKAB1MAP2K4MAPK1
SCHEMBL117222 0.81 JAK2 (0.64) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL18932046 0.81 MAP2K4 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL19641478 0.81 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL18967793 0.80 MAP2K4 (0.54) PRKAG1PRKAA1PRKAB1MAP2K4MAPK1
SCHEMBL31504557 0.80 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL1145076 0.80 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
Hydrochloric Acid SCHEMBL17206177 0.80 JAK2 (0.62) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11228513-A None JP disclosed
JP-H11228513-A 4-ACETYLAMINO-3-METHYLBENZOIC ACID COMPOUND, ITS PRODUCTION AND PRODUCTION OF 1H-INDAZOLE-5-CARBOXYLIC ACID USING THE SAME SUMIKA FINE CHEMICALS CO LTD 1999-08-24 JP disclosed