SCHEMBL2649787

SCHEMBL2649787

Cc1ccc(NC(=O)Nc2ncc(CSc3ccc(C(=O)OC(=O)c4ccc(S(=O)(=O)Cc5cnc(NC(=O)Nc6ccc(C)cc6C(=O)C6CCCC6)s5)cc4)cc3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
IDH2 P48735 1/20 0.33
MAPK14 Q16539 5/20 0.33
MAPK13 O15264 2/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
KCNQ1 P51787 1/20 0.31
OGA O60502 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GCK P35557 2/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL2649784 0.93 SMN1; SMN2 (0.38) KMT2AALDH1A1IDH2MAPK14MAPK13
SCHEMBL1341072 0.86 IDH2 (0.37) IDH2MAPK14MAPK13OGASMN1; SMN2
SCHEMBL1342290 0.85 SMN1; SMN2 (0.44) KMT2AALDH1A1MAPK14MAPK13TP53
SCHEMBL1342043 0.83 MAPK14 (0.39) MAPK14MAPK13OGASMN1; SMN2NPC1
SCHEMBL2660406 0.82 KMT2A (0.39) KMT2AALDH1A1IDH2MAPK14TP53
SCHEMBL1342705 0.82 MAPK14 (0.39) KMT2AALDH1A1MAPK14MAPK13LMNA
SCHEMBL1341909 0.82 RORC (0.40) KMT2AALDH1A1IDH2MAPK14MAPK13
SCHEMBL1342945 0.81 SMN1; SMN2 (0.39) KMT2AALDH1A1MAPK14MAPK13TP53
SCHEMBL1343092 0.81 MAPK14 (0.38) KMT2AALDH1A1IDH2MAPK14MAPK13
SCHEMBL1342653 0.80 NPC1 (0.38) KMT2AMAPK14MAPK13TP53LMNA

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