SCHEMBL2649784

SCHEMBL2649784

Cc1ccc(NC(=O)Nc2ncc(CS(=O)(=O)c3ccc(C(=O)O)cc3)s2)c(C(=O)C2CCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CSc3ccc(C(=O)O)cc3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GCK P35557 2/20 0.35
IDH2 P48735 1/20 0.34
MAPK14 Q16539 3/20 0.33
PLK1 P53350 2/20 0.33
MAPK13 O15264 2/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ACKR3 P25106 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
OGA O60502 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RORC P51449 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1341072 0.93 IDH2 (0.37) SMN1; SMN2GCKIDH2MAPK14MAPK13
SCHEMBL2649787 0.93 KMT2A (0.37) SMN1; SMN2GCKIDH2MAPK14MAPK13
SCHEMBL1342290 0.93 SMN1; SMN2 (0.44) SMN1; SMN2MAPK14PLK1MAPK13KMT2A
SCHEMBL1341909 0.85 RORC (0.40) SMN1; SMN2GCKIDH2MAPK14MAPK13
SCHEMBL1342294 0.85 ACKR3 (0.35) SMN1; SMN2GCKIDH2MAPK14MAPK13
SCHEMBL1342043 0.84 MAPK14 (0.39) SMN1; SMN2MAPK14MAPK13OGANPC1
SCHEMBL1342945 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MAPK14MAPK13KMT2AALDH1A1
SCHEMBL1343022 0.84 TP53 (0.37) SMN1; SMN2MAPK14MAPK13ALDH1A1ACKR3
SCHEMBL1342705 0.83 MAPK14 (0.39) SMN1; SMN2MAPK14MAPK13KMT2AALDH1A1
SCHEMBL1343092 0.83 MAPK14 (0.38) SMN1; SMN2IDH2MAPK14MAPK13KMT2A

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