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SCHEMBL4174648

SCHEMBL4174648

CCCc1cc2cccc(C(F)(F)F)c2nc1-c1cccc(-c2ccccc2S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.46
▸ NR1H3 Q13133 13/20 0.46
▸ PTPN1 P18031 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL4167355 0.84 NR1H2 (0.44) NR1H2NR1H3PTPN1MEN1KMT2A
SCHEMBL27786939 0.84 NR1H2 (0.46) NR1H2NR1H3PTPN1MEN1KMT2A
SCHEMBL4174645 0.83 NR1H2 (0.44) NR1H2NR1H3PTPN1MEN1KMT2A
SCHEMBL4160616 0.81 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4156280 0.79 NR1H2 (0.45) NR1H2NR1H3PTPN1MEN1KMT2A
SCHEMBL4165449 0.78 NR1H2 (0.44) NR1H2NR1H3SCN9A
SCHEMBL4174108 0.78 NR1H3 (0.46) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4165748 0.74 SCN9A (0.46) NR1H2NR1H3SCN9A
SCHEMBL27796471 0.74 NR1H2 (0.48) NR1H2NR1H3PTPN1MEN1KMT2A
SCHEMBL4158197 0.72 SCN9A (0.47) SCN9A

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 disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO disclosed