SCHEMBL7303130

SCHEMBL7303130

CCCCc1nc(C(C)=O)c(C(=O)OCC)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
XBP1 P17861 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7309807 0.91 ALDH1A1 (0.44) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL7306927 0.91 ALDH1A1 (0.44) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL9308698 0.84 ALDH1A1 (0.45) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL1275935 0.82 ALDH1A1 (0.46) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL7914214 0.82 PARP1 (0.40) ALDH1A1MAPTMAPK1GPR84
SCHEMBL9206394 0.81 ALDH1A1 (0.61) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL9308574 0.81 ALDH1A1 (0.43) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL7423269 0.81 ALDH1A1 (0.43) ALDH1A1HTTHPGDKDM4ERECQL
Hydrochloric Acid SCHEMBL1417761 0.81 ALDH1A1 (0.45) ALDH1A1HTTHPGDKDM4ERECQL
SCHEMBL2626703 0.80 ALDH1A1 (0.42) ALDH1A1HTTHPGDKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503785-B1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP disclosed
EP-0545912-B1 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP disclosed
US-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed
US-5616599-A HYPOTENSIVE AGENTS FOR CARDIOVASCULAR DISORDER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0545912-A2 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1993-06-09 EP disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed