SCHEMBL4012903

SCHEMBL4012903

CCS(=O)(=O)c1cc(F)cc(Oc2ccc(F)c(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.44
NR1H3 Q13133 17/20 0.44
RXRA P19793 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.39
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
GCK P35557 1/20 0.33

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
SCHEMBL4010387 0.93 NR1H2 (0.48) NR1H2NR1H3RXRAPTGDR2GCK
SCHEMBL4017675 0.92 NR1H2 (0.50) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4010862 0.91 NR1H2 (0.48) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4013074 0.87 NR1H2 (0.42) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4011973 0.86 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012970 0.84 NR1H2 (0.52) NR1H2NR1H3RXRAPTGDR2GCK
SCHEMBL4018729 0.83 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4011231 0.81 NR1H2 (0.47) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4009472 0.81 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2CCNT1
SCHEMBL4010783 0.81 NR1H2 (0.64) NR1H2NR1H3RXRA

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