SCHEMBL9050508

SCHEMBL9050508

COc1ccc(CCn2nnnc2-c2ccc3c(c2)C=CC(C)(C)O3)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 12/20 0.43
EPAS1 Q99814 11/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HSD11B1 P28845 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
COXFA4 O00483 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
SCHEMBL8886385 0.90 HIF1A (0.42) HIF1AEPAS1CA12CA9HSD11B1
SCHEMBL8884017 0.88 HIF1A (0.41) HIF1AEPAS1CA12CA9HSD11B1
SCHEMBL9050197 0.87 HIF1A (0.39) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL8885575 0.83 ALDH1A1 (0.40) HIF1AEPAS1CA12CA9HSD11B1
SCHEMBL8886146 0.82 HIF1A (0.40) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL8885347 0.81 HIF1A (0.39) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL9051319 0.78 ALDH1A1 (0.47) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL9050314 0.77 SLC6A2 (0.42) CA12CA9HSD11B1SLC6A2SLC6A4
SCHEMBL8884976 0.75 HSD11B1 (0.39) HIF1AEPAS1HSD11B1ALDH1A1COXFA4
SCHEMBL8884015 0.74 HSD11B1 (0.39) HIF1AEPAS1CA12CA9HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP claimed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed