SCHEMBL2651692

SCHEMBL2651692

Cc1ccc(NC(=O)Nc2nc(CNC(=O)NCC(=O)ON(C(=O)Nc3ccc(C)cc3N3CCCCC3)c3nc(CNC(=O)NCCN(C)C)cs3)cs2)c(N2CCCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 2/20 0.33
MAPK14 Q16539 3/20 0.33
DDR2 Q16832 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
DDR1 Q08345 1/20 0.32
MAPK11 Q15759 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32

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 0.88 MEN1 (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2651682 0.87 MEN1 (0.39) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1343009 0.80 MAPT (0.41) LMNAPOLBTP53MAPTPIM1
SCHEMBL1341870 0.79 POLB (0.39) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1342071 0.77 POLB (0.46) LMNAPOLBTP53MAPTPIM1
SCHEMBL1341384 0.76 MAPT (0.43) POLBTP53MAPTPIM1PIM3
SCHEMBL1343299 0.76 PIM1 (0.43) LMNAMEN1KMT2APOLBTP53
SCHEMBL1340543 0.74 PIM1 (0.42) LMNAPOLBTP53MAPTPIM1
SCHEMBL1341869 0.74 MEN1 (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2649086 0.73 POLB (0.43) LMNAPOLBTP53MAPTPIM1

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