SCHEMBL29408204

SCHEMBL29408204

COc1ccc(-c2[nH]nc(C(=O)O)c2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.56
PRKAA1 Q13131 2/20 0.56
PRKAB1 Q9Y478 2/20 0.56
ALPL P05186 3/20 0.50
CA9 Q16790 1/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPT P10636 5/20 0.46
DYRK1B Q9Y463 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
PTPN1 P18031 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
SCHEMBL29408161 0.81 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL9057955 0.81 KDM4E (0.47) SMN1; SMN2MAPTDYRK1BALDH1A1HPGD
SCHEMBL4765285 0.75 SMN1; SMN2 (0.56) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL22678560 0.72 CDK2 (0.46) SMN1; SMN2MAPTDYRK1BALDH1A1HPGD
SCHEMBL7441041 0.71 LMNA (0.57) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL10642212 0.71 LMNA (0.44) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL9353501 0.71 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL8075999 0.70 SMN1; SMN2 (0.49) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL3546318 0.70 KMT2A (0.59) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL8890557 0.69 SMN1; SMN2 (0.53) ALPLCA9SMN1; SMN2HTTMAPK10

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
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN disclosed