SCHEMBL2650296

SCHEMBL2650296

Cc1ccc(NC(=O)CC(=O)Nc2ncc(Sc3ccccn3)s2)c(OCC(C)C)c1.Cc1ccc(NC(=O)CC(=O)Nc2ncc(Sc3ncc[nH]3)s2)c(OCC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NTRK1 P04629 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GCK P35557 1/20 0.33
POLB P06746 1/20 0.33
GRM4 Q14833 1/20 0.33
HPGD P15428 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
LPAR1 Q92633 1/20 0.33
GAA P10253 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
SCHEMBL1341323 0.93 KMT2A (0.37) NTRK1MEN1KMT2AMAPTTP53
SCHEMBL1342597 0.92 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NTRK1MEN1KMT2A
SCHEMBL2649174 0.92 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NTRK1MEN1KMT2A
SCHEMBL1343044 0.86 MYC (0.37) NTRK1MEN1KMT2AHSD17B10GCK
SCHEMBL1342983 0.86 LPAR1 (0.35) MEN1KMT2ANPC1RAB9APKM
SCHEMBL1342830 0.86 TSHR (0.41) ALDH1A1SMN1; SMN2NTRK1NPC1RAB9A
SCHEMBL1340627 0.85 NTRK1 (0.39) ALDH1A1SMN1; SMN2NTRK1MAPTNPC1
SCHEMBL1341150 0.85 PKM (0.41) ALDH1A1SMN1; SMN2NTRK1KMT2AMAPT
SCHEMBL1342373 0.84 MKNK2 (0.34) NTRK1MAPTTP53HSD17B10CCNE1
SCHEMBL1341387 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NTRK1MEN1KMT2A

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