SCHEMBL2650754

SCHEMBL2650754

Cc1ccc(NC(=O)Nc2ncc(CN3CCCCC3)s2)c(N2CCCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CN3CCOCC3)s2)c(N2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPK13 O15264 1/20 0.47
OGA O60502 6/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL1343127 0.99 SMN1; SMN2 (0.50) SMN1; SMN2MAPK13OGAPSEN1PSEN2
SCHEMBL1343375 0.95 SMN1; SMN2 (0.56) SMN1; SMN2OGAPOLBTP53MAPT
SCHEMBL1343032 0.90 SMN1; SMN2 (0.50) SMN1; SMN2OGAPOLBTP53MAPT
SCHEMBL1342754 0.89 OGA (0.51) SMN1; SMN2OGAPOLB
SCHEMBL1341711 0.89 SMN1; SMN2 (0.49) SMN1; SMN2OGAPOLBTP53MAPT
SCHEMBL1343227 0.89 SMN1; SMN2 (0.48) SMN1; SMN2OGAPOLB
SCHEMBL1343325 0.87 SMN1; SMN2 (0.47) SMN1; SMN2OGAPOLBTP53MAPT
SCHEMBL2650756 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPK13OGAPSEN1PSEN2
SCHEMBL1343304 0.84 POLB (0.46) SMN1; SMN2MAPK13MEN1KMT2APOLB
SCHEMBL2651292 0.83 GCK (0.46) SMN1; SMN2OGAPOLB

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