SCHEMBL6604867

SCHEMBL6604867

NC(=O)c1cnc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.69
MAPT P10636 6/20 0.69
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
PPARG P37231 2/20 0.64
NCOA2 Q15596 2/20 0.64
NCOA1 Q15788 2/20 0.64
NCOA3 Q9Y6Q9 2/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
HPGD P15428 1/20 0.61
ALDH1A1 P00352 6/20 0.60
CYP1A2 P05177 2/20 0.60
IKBKB O14920 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
CYP2D6 P10635 1/20 0.51

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
SCHEMBL1193921 0.85 SMN1; SMN2 (0.71) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL608332 0.83 SMN1; SMN2 (0.69) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL892319 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL31341150 0.83 PTPN11 (0.58) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL999672 0.83 GSK3B (0.49) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL892779 0.83 MAPT (0.68) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL12925920 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL24187739 0.81 NPC1 (0.74) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL31341232 0.81 NPC1 (0.74) SMN1; SMN2MAPTNPC1RAB9APPARG
SCHEMBL10848656 0.81 CDC7 (0.61) SMN1; SMN2MAPTNPC1RAB9APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed