SCHEMBL6901298

SCHEMBL6901298

CCCCNc1cc(C(=O)Nc2ccc(OC)c(CCCN(C(C)C)C(C)C)c2)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.63
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
SLC12A2 P55011 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PTGS2 P35354 14/20 0.50
MCHR1 Q99705 4/20 0.47
HTR2C P28335 1/20 0.41

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
SCHEMBL6901304 0.92 AQP1 (0.64) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL6894735 0.89 AQP1 (0.63) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL6894744 0.82 AQP1 (0.64) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL1743067 0.81 AQP1 (0.88) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL21436882 0.79 AQP1 (0.81) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL6901296 0.79 MCHR1 (0.72) MCHR1HTR2C
SCHEMBL12508360 0.78 AQP1 (1.00) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL6895242 0.78 MCHR1 (0.73) MCHR1HTR2C
SCHEMBL31704475 0.77 CA2 (0.84) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL11374781 0.77 CA2 (0.84) AQP1KDM4EUSP2ALDH1A1CA2

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