SCHEMBL2650442

SCHEMBL2650442

COc1ccc(N(C(=O)Nc2nc(CSc3ccccc3)c(SC)s2)N(C(=O)Nc2nc(CSc3ccccc3)c(SC)s2)c2ccc(N(C)C)cc2C(=O)C2CCCC2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CASR P41180 1/20 0.30

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
SCHEMBL2649855 0.89 MAPT (0.34) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2650440 0.88 MAPT (0.38) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2649637 0.84 NPSR1 (0.34) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1341071 0.82 MAPT (0.41) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1342823 0.82 MAPT (0.36) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2649389 0.79 MAPT (0.36) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2649854 0.78 MAPT (0.35) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1341345 0.74 RXFP1 (0.39) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2651698 0.72 GCK (0.31) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL2651015 0.72 CASR (0.33) MAPTALDH1A1RAB9ACASR

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