SCHEMBL2650440

SCHEMBL2650440

COc1ccc(NC(=O)Nc2nc(CSc3ccccc3)c(SC)s2)c(C(=O)C2CCCC2)c1.CSc1sc(NC(=O)Nc2ccc(N(C)C)cc2C(=O)C2CCCC2)nc1CSc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.38
KMT2A Q03164 9/20 0.37
MEN1 O00255 8/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1342823 0.94 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL1341071 0.94 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL2649854 0.89 MAPT (0.35) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL2650442 0.88 MAPT (0.37) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL1342635 0.85 MAPT (0.37) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL1342824 0.85 MAPT (0.35) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL1343364 0.85 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL1343436 0.85 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL1341182 0.84 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1341345 0.84 RXFP1 (0.39) MAPTKMT2AMEN1ALDH1A1TP53

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