SCHEMBL4014874

SCHEMBL4014874

CS(=O)(=O)c1cc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 1.00
NR1H3 Q13133 18/20 1.00
RXRA P19793 1/20 0.60
PPARG P37231 1/20 0.44

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
SCHEMBL4014006 0.96 NR1H2 (0.92) NR1H2NR1H3RXRAPPARG
SCHEMBL4017853 0.89 NR1H2 (0.81) NR1H2NR1H3RXRAPPARG
SCHEMBL4018567 0.89 NR1H2 (1.00) NR1H2NR1H3RXRAPPARG
SCHEMBL4017293 0.85 NR1H2 (0.74) NR1H2NR1H3RXRAPPARG
SCHEMBL4012479 0.83 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4013215 0.83 NR1H2 (0.80) NR1H2NR1H3RXRA
SCHEMBL4011934 0.82 NR1H2 (0.83) NR1H2NR1H3RXRAPPARG
SCHEMBL4012168 0.82 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4017969 0.82 NR1H2 (0.79) NR1H2NR1H3RXRAPPARG
SCHEMBL4012178 0.82 NR1H2 (0.76) NR1H2NR1H3RXRAPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed