SCHEMBL9050197

SCHEMBL9050197

CC1(C)C=Cc2cc(-c3nnnn3CCc3ccc(OCc4ccccc4)cc3)ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.39
EPAS1 Q99814 6/20 0.39
TLR3 O15455 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HMOX1 P09601 1/20 0.37
MAOB P27338 1/20 0.36
HSD11B1 P28845 2/20 0.36
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL8884017 0.91 HIF1A (0.41) HIF1AEPAS1HSD11B1
SCHEMBL9050508 0.87 HIF1A (0.43) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL8886146 0.85 HIF1A (0.40) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL9051319 0.84 ALDH1A1 (0.47) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL8885347 0.84 HIF1A (0.39) HIF1AEPAS1HSD11B1SLC6A2SLC6A4
SCHEMBL8886385 0.83 HIF1A (0.42) HIF1AEPAS1HRH3HSD11B1MAPT
SCHEMBL8885575 0.77 ALDH1A1 (0.40) HIF1AEPAS1HSD11B1
SCHEMBL8886788 0.77 HSD11B1 (0.40) HSD11B1SLC6A2SLC6A4
SCHEMBL6936669 0.76 CA2 (0.54) HIF1AEPAS1TLR3MAOB
SCHEMBL9394843 0.74 KCNE1 (0.40) HIF1AHSD11B1SLC6A2SLC6A4

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-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
EP-0690855-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-01-10 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed