SCHEMBL4765285

SCHEMBL4765285

COc1ccc(-c2[nH]nc(C)c2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
MAPK10 P53779 1/20 0.56
ALPL P05186 3/20 0.51
CA9 Q16790 1/20 0.51
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 4/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK1 P28482 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL13615358 0.82 CHEK1 (0.46) SMN1; SMN2ALPLALDH1A1KDM4EHPGD
SCHEMBL22637413 0.81 CA12 (0.46) SMN1; SMN2HTTMAPK10ALPLMAPT
SCHEMBL29408161 0.79 PRKAG1 (0.54) SMN1; SMN2HTTMAPK10ALPLCA9
SCHEMBL8890557 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HTTMAPK10ALPLCA9
SCHEMBL4711570 0.75 KDM4E (0.47) SMN1; SMN2HTTMAPK10ALPLALDH1A1
SCHEMBL29408204 0.75 PRKAG1 (0.56) SMN1; SMN2HTTMAPK10ALPLCA9
SCHEMBL8887137 0.74 CDK4 (0.52) SMN1; SMN2HTTMAPK10ALDH1A1KDM4E
SCHEMBL4710473 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPK10ALPLALDH1A1
SCHEMBL12273602 0.74 CA12 (0.47) SMN1; SMN2ALPLCA9ALDH1A1KDM4E
SCHEMBL4712758 0.73 SMN1; SMN2 (0.57) SMN1; SMN2HTTHPGDRXFP1NPC1

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed