SCHEMBL4012164

SCHEMBL4012164

COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 7/20 0.53
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
APLNR P35414 1/20 0.51
PTGES O14684 1/20 0.50
TAS2R8 Q9NYW2 1/20 0.50
CXCR3 P49682 1/20 0.50
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ACLY P53396 1/20 0.49
MEP1B Q16820 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
GRK2 P25098 1/20 0.48

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
SCHEMBL7365048 0.88 TAS2R14 (0.68) TAS2R14APLNRPTGESTAS2R8CXCR3
SCHEMBL29966020 0.86 LMNA (0.63) TAS2R14EGFRAPLNRCNR1CNR2
SCHEMBL6958238 0.85 TAS2R14 (0.64) TAS2R14EGFRERBB2APLNRPTGES
SCHEMBL14285692 0.84 TAS2R14 (0.64) TAS2R14APLNRPTGESTAS2R8CXCR3
SCHEMBL22265923 0.84 ALDH1A1 (0.66) TAS2R14PTGESTAS2R8CXCR3CNR1
SCHEMBL1894315 0.83 TAS2R14 (0.57) TAS2R14APLNRPTGESTAS2R8ACLY
SCHEMBL30014545 0.82 APLNR (0.51) TAS2R14APLNRPTGESTAS2R8CXCR3
SCHEMBL29955588 0.81 TAS2R14 (0.53) TAS2R14APLNRPTGESTAS2R8CXCR3
SCHEMBL1278905 0.81 TAS2R14 (0.80) TAS2R14PTGESTAS2R8CXCR3MEP1B
SCHEMBL30655988 0.81 APLNR (0.48) TAS2R14APLNRPTGESTAS2R8CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed