SCHEMBL6271007

SCHEMBL6271007

CCOC(=O)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.42
CACNA1C Q13936 5/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PRKCZ Q05513 1/20 0.38
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8795162 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GSK3BCACNA1CCACNA1FCACNA1D
SCHEMBL6270429 0.84 AKR1B1 (0.40) MAPTKMT2AALDH1A1MEN1CYP1A2
SCHEMBL8134324 0.83 KMT2A (0.38) SMN1; SMN2MAPTNPC1KMT2AALDH1A1
SCHEMBL8311296 0.82 AKR1B1 (0.37) MAPTKMT2AALDH1A1MEN1CYP3A4
SCHEMBL8313694 0.82 ALPG (0.41) SMN1; SMN2MAPTNPC1KMT2AALDH1A1
SCHEMBL6269237 0.82 LMNA (0.40) SMN1; SMN2ADORA3MAPTNPC1KMT2A
SCHEMBL6269700 0.82 ALDH1A1 (0.36) MAPTKMT2AALDH1A1MEN1TSHR
Hydrochloric Acid SCHEMBL8316265 0.81 LMNA (0.40) SMN1; SMN2ADORA3MAPTNPC1KMT2A
SCHEMBL6268789 0.80 HIF1A (0.36) CACNA1CCACNA1FCACNA1DCACNA1SMAPT
SCHEMBL8121742 0.80 CTSL (0.37) MAPTKMT2AALDH1A1MEN1CYP3A4

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 9 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
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646310-A HYPOTENSIVE AGENTS, POTASSIUM CHANNEL ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS 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
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed