SCHEMBL6093549

SCHEMBL6093549

Nc1cc([S])cc(C(=O)NCc2ccccc2C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.57
PPARG P37231 8/20 0.51
ALOX5 P09917 2/20 0.49

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
SCHEMBL6093623 0.88 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL6093617 0.88 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL23474250 0.86 EPHX2 (0.56) EPHX2PPARGALOX5
SCHEMBL6093558 0.86 EPHX2 (0.56) EPHX2PPARGALOX5
SCHEMBL7596154 0.85 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL23511436 0.84 EPHX2 (0.54) EPHX2PPARGALOX5
SCHEMBL5847010 0.81 EPHX2 (0.56) EPHX2PPARGALOX5
SCHEMBL6093236 0.81 SMN1; SMN2 (0.57)
SCHEMBL5643051 0.80 EPHX2 (0.79) EPHX2PPARG
SCHEMBL6093474 0.77 CFD (0.55) EPHX2

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
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 US claimed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 US claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-6870056-B1 Substitituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-03-22 US disclosed
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 US disclosed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 US disclosed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed