SCHEMBL2651280

SCHEMBL2651280

Cc1ccc(NC(=O)Nc2ncc(CCc3nc4ccccc4[nH]3)s2)c(C(=O)C2CCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CCc3nc4ncccc4[nH]3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.43
NTRK2 Q16620 5/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
HPSE Q9Y251 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL1343337 0.96 MAPK14 (0.39) NTRK1NTRK2MAPK14MAPK13CCNE1
SCHEMBL1343374 0.94 NTRK1 (0.47) NTRK1NTRK2KDM4ESMN1; SMN2MAPK14
SCHEMBL1342391 0.89 RAB9A (0.37) KDM4ESMN1; SMN2MAPK14MAPK13LMNA
SCHEMBL1342919 0.88 NTRK1 (0.42) NTRK1NTRK2KDM4ESMN1; SMN2LMNA
SCHEMBL2651283 0.88 KDM4E (0.37) NTRK1NTRK2KDM4ESMN1; SMN2LMNA
SCHEMBL1343556 0.81 NTRK1 (0.43) NTRK1NTRK2LMNAPKM
SCHEMBL1343767 0.81 MAPK14 (0.39) SMN1; SMN2MAPK14MAPK13
SCHEMBL1342898 0.79 MAPK14 (0.38) NTRK1NTRK2MAPK14MAPK13
SCHEMBL1342895 0.78 NTRK1 (0.55) NTRK1NTRK2SMN1; SMN2PKM
SCHEMBL1342307 0.78 MAPK14 (0.40) SMN1; SMN2MAPK14MAPK13

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed