SCHEMBL6899668

SCHEMBL6899668

CCCN(CCC)CCCc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
PRMT1 Q99873 1/20 0.46
HTR2A P28223 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6899663 0.88 MCHR1 (0.49) CA12CA1CA9HTR1DHTR1B
SCHEMBL6892155 0.84 MCHR1 (0.55) CA12CA1CA9PRMT1USP2
SCHEMBL6896357 0.82 ATM (0.52) HTR1DHTR1BHTR2AMAPTALDH1A1
SCHEMBL6895427 0.81 MAPT (0.52) MAPTALDH1A1SMN1; SMN2
SCHEMBL6898063 0.80 MCHR1 (0.56) HTR1DHTR1BHTR2A
SCHEMBL6901301 0.80 MCHR1 (0.58) HTR1DHTR1BHTR2AALDH1A1SMN1; SMN2
SCHEMBL6894728 0.80 MAPT (0.49) HTR1DHTR1BMAPTALDH1A1SMN1; SMN2
SCHEMBL7614322 0.78 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7609161 0.76 TP53 (0.50) CA12CA1CA9MAPTALDH1A1
SCHEMBL6898477 0.76 MCHR1 (0.63) HPGD

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