SCHEMBL2649833

SCHEMBL2649833

O=C(Nc1nc(C(=O)OC(=O)c2nc(NC(=O)Nc3ccc(Cl)cc3C(=O)C3CCCC3)sc2Cl)c(Cl)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 6/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 3/20 0.36
CXCR2 P25025 1/20 0.36
GRIK1 P39086 1/20 0.36
NPC1 O15118 2/20 0.35
GRM5 P41594 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL2649828 0.92 GRIK1 (0.41) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL10002707 0.89 ALDH1A1 (0.38) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL1342120 0.88 SERPINE1 (0.41) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL1340657 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL10002704 0.81 GRIK1 (0.37) ALDH1A1KDM4ECNR1CNR2MEN1
SCHEMBL2650087 0.81 MAPT (0.38) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL1341838 0.80 SERPINE1 (0.39) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL1341338 0.79 GCK (0.39) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL1341158 0.79 MAPT (0.39) CASP3SENP8SENP7SENP6CNR1
SCHEMBL1341032 0.78 LMNA (0.42) MEN1KMT2ARAB9AGRIK1NPC1

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