SCHEMBL8884017

SCHEMBL8884017

CC1(C)C=Cc2cc(-c3nnnn3CCc3ccccc3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.41
EPAS1 Q99814 6/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL8886146 0.94 HIF1A (0.40) HIF1AEPAS1HSD11B1ALDH1A1POLB
SCHEMBL8885347 0.93 HIF1A (0.39) HIF1AEPAS1HSD11B1ALDH1A1POLB
SCHEMBL9050197 0.91 HIF1A (0.39) HIF1AEPAS1HSD11B1
SCHEMBL9050508 0.88 HIF1A (0.43) HIF1AEPAS1HSD11B1ALDH1A1HTT
SCHEMBL8886385 0.87 HIF1A (0.42) HIF1AEPAS1HSD11B1ALDH1A1MEN1
SCHEMBL9051319 0.87 ALDH1A1 (0.47) HIF1AEPAS1HSD11B1ALDH1A1POLB
SCHEMBL8886788 0.84 HSD11B1 (0.40) HSD11B1ALDH1A1POLBHTTMEN1
SCHEMBL8885575 0.83 ALDH1A1 (0.40) HIF1AEPAS1HSD11B1ALDH1A1POLB
SCHEMBL8884015 0.82 HSD11B1 (0.39) HIF1AEPAS1HSD11B1ALDH1A1POLB
SCHEMBL9049776 0.77 HRH3 (0.36) HSD11B1ALDH1A1POLBHTT

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
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
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