SCHEMBL13604256

SCHEMBL13604256

C=C(NNC(=O)Nc1ccccc1)c1cccnc1SCc1ccnc(NC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 4/20 0.44
GSK3A P49840 3/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PPIA P62937 1/20 0.39
KIT P10721 2/20 0.38
BRAF P15056 2/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1346908 0.91 KDR (0.48) PKML3MBTL1GSK3BGSK3AAURKA
SCHEMBL13604079 0.88 MAPK14 (0.46) PKML3MBTL1ALDH1A1CYP2C9KDR
SCHEMBL1346858 0.83 KDR (0.60) ALDH1A1CYP2C9KDRMEN1KMT2A
SCHEMBL12133255 0.82 ALDH1A1 (0.61) PKML3MBTL1GSK3BGSK3AAURKA
SCHEMBL1347067 0.80 MAPK14 (0.48) PKML3MBTL1ALDH1A1CYP2C9KDR
SCHEMBL1346946 0.79 PKM (0.44) PKML3MBTL1ALDH1A1CYP2C9KDR
SCHEMBL1344796 0.79 MAPT (0.55) PKML3MBTL1CYP2C9KDRMEN1
SCHEMBL1942582 0.79 KDR (0.51) ALDH1A1CYP2C9KDRMEN1KMT2A
SCHEMBL1939960 0.78 KDR (0.53) PKML3MBTL1GSK3BGSK3AAURKA
SCHEMBL1940525 0.77 KDR (0.71) PKML3MBTL1GSK3BGSK3AAURKA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP disclosed