SCHEMBL8847752

SCHEMBL8847752

CCc1nc2c(C)cc(C(=O)O)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.42
EGLN1 Q9GZT9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APEX1 P27695 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MME P08473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
PARP4 Q9UKK3 2/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
TOP2A P11388 1/20 0.36
ADORA1 P30542 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL158112 0.88 ACACB (0.45) PRKCZEGLN1NPSR1HSP90AA1ESR2
SCHEMBL8847450 0.87 PRKCZ (0.39) PRKCZMMEGAAHTTACACB
Hydrochloric Acid SCHEMBL4437775 0.86 ACACB (0.44) PRKCZEGLN1NPSR1HSP90AA1ESR2
SCHEMBL1144471 0.81 HSP90AA1 (0.57) EGLN1HSP90AA1ESR2TDP1MME
SCHEMBL9413571 0.78 PRKCZ (0.40) PRKCZEGLN1TDP1MMEALDH1A1
SCHEMBL4363219 0.77 GAA (0.43) PRKCZTDP1ALDH1A1PARP4GAA
SCHEMBL8847760 0.76 ADORA1 (0.46) NPSR1HSP90AA1ESR2TDP1APEX1
SCHEMBL3674991 0.76 EGLN1 (0.41) PRKCZEGLN1HSP90AA1ESR2TDP1
SCHEMBL28048356 0.75 ACACB (0.44) PRKCZEGLN1APEX1MMEALDH1A1
SCHEMBL8848140 0.75 ACACB (0.44) PRKCZAPEX1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed