SCHEMBL6267705

SCHEMBL6267705

N#CC1(C(F)F)C=Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
HIF1A Q16665 6/20 0.39
EPAS1 Q99814 4/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
TLR3 O15455 2/20 0.37
VCAM1 P19320 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
P2RY6 Q15077 1/20 0.32
ALDH1A1 P00352 3/20 0.31
EGFR P00533 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6270431 0.76 MEN1 (0.46) CA9CA12CA1HIF1AEPAS1
SCHEMBL8134327 0.75 KMT2A (0.43) CA9CA12CA1HIF1AEPAS1
SCHEMBL8121744 0.74 KMT2A (0.42) CA9CA12CA1HIF1AEPAS1
SCHEMBL3193294 0.74 TLR3 (0.59) CA9CA12CA1HIF1AEPAS1
SCHEMBL8315997 0.74 CA9 (0.49) CA9CA12CA1HIF1AEPAS1
SCHEMBL27330130 0.72 CA9 (0.50) CA9CA12CA1HIF1AEPAS1
SCHEMBL8316093 0.71 PTGS1 (0.47) CA9CA12CA1HIF1AEPAS1
SCHEMBL6271010 0.70 TLR3 (0.42) CA9CA12CA1HIF1AEPAS1
SCHEMBL6976994 0.69 PTGS1 (0.62) CA9CA12CA1HIF1AEPAS1
SCHEMBL3258594 0.69 CA9 (0.44) CA9CA12CA1HIF1AEPAS1

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-0995438-B1 BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF PERIPHERAL VASCULAR DISEASE CHUGAI PHARMACEUTICAL CO LTD (JP) 2005-11-30 EP disclosed
US-6248777-B1 VASCULAR DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-19 US disclosed
EP-0995438-A1 REMEDIES FOR PERIPHERAL CIRCULATION DISTURBANCES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-04-26 EP disclosed
EP-0702952-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-12-08 EP disclosed
US-5646310-A HYPOTENSIVE AGENTS, POTASSIUM CHANNEL ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0702952-A1 BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1996-03-27 EP disclosed