SCHEMBL6899663

SCHEMBL6899663

COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
HTR2C P28335 1/20 0.49
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
PRMT1 Q99873 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HTR2A P28223 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6899668 0.88 CA12 (0.52) HTR1DHTR1BPRMT1CA12CA1
SCHEMBL6892149 0.84 MCHR1 (0.65) MCHR1HTR2CALDH1A1HPGDHTT
SCHEMBL6928002 0.83 MCHR1 (0.71) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6896350 0.83 MCHR1 (0.60) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6895425 0.82 MCHR1 (0.48) MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL6898060 0.81 MCHR1 (0.72) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6901296 0.81 MCHR1 (0.72) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6894726 0.80 MEN1 (0.48) HTR1DHTR1BMAPTALDH1A1SMN1; SMN2
SCHEMBL7614313 0.79 SLC2A1 (0.56) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7614317 0.79 SLC2A1 (0.56) MAPTALDH1A1HPGDSMN1; SMN2

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
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP claimed
JP-2002521436-A 2002-07-16 JP claimed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO claimed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed