SCHEMBL2651682

SCHEMBL2651682

Cc1ccc(NC(=O)Nc2nc(CNC(=O)NCC(=O)O)cs2)c(N2CCCCC2)c1.Cc1ccc(NC(=O)Nc2nc(CNC(=O)NCCN(C)C)cs2)c(N2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PIM1 P11309 3/20 0.36
PIM3 Q86V86 3/20 0.36
DNM1L O00429 3/20 0.35
LMNA P02545 3/20 0.34
PIM2 Q9P1W9 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1342082 0.95 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1343009 0.93 MAPT (0.41) MAPTTP53POLBPIM1PIM3
SCHEMBL2651692 0.87 LMNA (0.35) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1341870 0.85 POLB (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1342071 0.83 POLB (0.46) MAPTTP53POLBPIM1PIM3
SCHEMBL1341384 0.83 MAPT (0.43) MAPTTP53POLBPIM1PIM3
SCHEMBL1343299 0.82 PIM1 (0.43) MEN1KMT2AMAPTTP53POLB
SCHEMBL1340899 0.82 MAPT (0.48) GAAMAPTTP53POLBPIM1
SCHEMBL1340543 0.80 PIM1 (0.42) MAPTTP53POLBPIM1PIM3
SCHEMBL1341869 0.80 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1GAA

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