SCHEMBL2654801

SCHEMBL2654801

CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
FFAR2 O15552 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
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
CCND3 P30281 1/20 0.43
MAPK4 P31152 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
SCHEMBL1564971 0.84 MAPT (0.50) MAPTKDM4EPOLBFFAR2TSHR
SCHEMBL1565595 0.83 MAPT (0.47) MAPTKDM4EPOLBFFAR2L3MBTL1
SCHEMBL2653273 0.82 MAPT (0.50) MAPTKDM4EPOLBFFAR2L3MBTL1
SCHEMBL1565355 0.78 TDP1 (0.56) MAPTTSHRMAPK1ALDH1A1
SCHEMBL1565282 0.78 POLB (0.48) MAPTKDM4EPOLBFFAR2TSHR
SCHEMBL2655095 0.78 ALDH1A1 (0.48) MAPTKDM4EPOLBFFAR2L3MBTL1
SCHEMBL1565387 0.77 MAPT (0.52) MAPTKDM4EPOLBFFAR2L3MBTL1
SCHEMBL1565806 0.74 MAPT (0.49) MAPTKDM4EPOLBFFAR2TSHR
SCHEMBL2651656 0.74 FFAR2 (0.73) MAPTKDM4EPOLBFFAR2TSHR
SCHEMBL1565141 0.73 MAPT (0.50) MAPTKDM4EPOLBFFAR2TSHR

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 claimed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO claimed