SCHEMBL7210249

SCHEMBL7210249

C=Cc1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL17430077 0.79 PDE4A (0.41) PDE4APDE4CPDE4D
SCHEMBL5764703 0.79 BACE1 (0.42) PDE4APDE4CPDE4DCA1CA2
SCHEMBL22573236 0.79 PDE4A (0.46) PDE4APDE4CPDE4DKDM4EMETAP2
SCHEMBL7210224 0.74 PDE4A (0.39) PDE4APDE4CPDE4D
SCHEMBL1712327 0.73 MTNR1A (0.43) NFE2L2
SCHEMBL29461538 0.72 MGAM (0.40) PDE4APDE4CPDE4DCA1CA2
SCHEMBL244946 0.72 MGAM (0.40) PDE4APDE4CPDE4DCA1CA2
SCHEMBL15237684 0.72 MCHR1 (0.55) PDE4APDE4CPDE4D
SCHEMBL3836934 0.72 PDE4A (0.36) PDE4APDE4CPDE4DCA1CA2
SCHEMBL17430074 0.72 MCHR1 (0.53) PDE4APDE4CPDE4D

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-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO disclosed