SCHEMBL2653273

SCHEMBL2653273

CCCCN(C(=O)Nc1nccs1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
PIK3CD O00329 1/20 0.43
PIK3C2B O00750 1/20 0.43
AURKA O14965 1/20 0.43
PIK3C2G O75747 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
CCND3 P30281 1/20 0.43
MAPK4 P31152 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CDK8 P49336 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL1565387 0.93 MAPT (0.52) MAPTL3MBTL1PIK3CDPIK3C2BAURKA
SCHEMBL1566677 0.83 MAPT (0.51) MAPTPIK3CDPIK3C2BAURKAPIK3C2G
SCHEMBL2652222 0.83 SMN1; SMN2 (0.49) MAPTL3MBTL1CYP2C9ADORA2ASMN1; SMN2
SCHEMBL2654801 0.82 MAPT (0.49) MAPTL3MBTL1PIK3CDPIK3C2BAURKA
SCHEMBL1565010 0.80 SMN1; SMN2 (0.48) L3MBTL1CYP2C9ADORA2ASMN1; SMN2NPC1
SCHEMBL1565764 0.79 EPHX2 (0.50) MAPTPOLB
SCHEMBL10536299 0.77 TSHR (0.48) NPC1RAB9ALMNAALDH1A1
SCHEMBL2652656 0.76 KMT2A (0.51) L3MBTL1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL10476874 0.76 TSHR (0.51) MAPTNPC1RAB9AALDH1A1
SCHEMBL2653444 0.73 MAPK1 (0.57) L3MBTL1MAPK1CDK5CYP2C9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed