SCHEMBL6937176

SCHEMBL6937176

Nc1cc2c[c]c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
AR P10275 6/20 0.37
CACNA1H O95180 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6928525 0.85 AR (0.35) PARP1AR
SCHEMBL6935418 0.79 CA2 (0.46) ARCACNA1HGRIA1GRIA2GRIA3
SCHEMBL6934908 0.76 TRPV4 (0.38) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL6932417 0.76 CA12 (0.49) PARP1ARGRIA1GRIA2GRIA3
SCHEMBL6937214 0.75 ADORA3 (0.38)
Phosphonic Acid SCHEMBL7070319 0.74 CA1 (0.41) CA12CA1CA2CA4CA6
SCHEMBL6937670 0.73 KIF11 (0.35) AR
SCHEMBL7972493 0.72 GRIA1 (0.53) PARP1ARGRIA1GRIA2GRIA3
SCHEMBL6937263 0.70 TSHR (0.42)
SCHEMBL6935736 0.69 CNR2 (0.37) AR

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-1125941-B1 Derivatives of 6-sulfamoyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-09 EP disclosed
EP-1125942-B1 Derivatives of 6-amino or 6-hydrazinosulfonyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-09 EP disclosed
EP-1125940-B1 Derivatives of aryl or heteroaryl quinolinylphosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-15 EP disclosed
EP-1125942-A1 Derivatives of 6-amino or 6-hydrazinosulfonyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-22 EP disclosed
EP-1125940-A1 Derivatives of aryl or heteroaryl quinolinylphosphonic acids, process for their preparation and pharmaceutical compositions containing them Adir Et Cie (FR) 2001-08-22 EP disclosed
EP-1125941-A1 Derivatives of 6-sulfamoyl-3-quinolyl phosphonic acids, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-22 EP disclosed