SCHEMBL13848533

SCHEMBL13848533

CCCCc1cc(C)c2sc(N)c(C(=O)OCC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.49
▸ GAA P10253 7/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALOX15 P16050 5/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 11/20 0.49
▸ HPGD P15428 8/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ FHIT P49789 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CISD2 Q8N5K1 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ GRM6 O15303 2/20 0.41

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
SCHEMBL3990334 0.89 MAPT (0.51) MAPTGAAMEN1KMT2AALOX15
SCHEMBL13886791 0.81 MAPT (0.49) MAPTGAAMEN1KMT2AALOX15
SCHEMBL13869870 0.77 MAPT (0.51) MAPTGAAMEN1KMT2AALOX15
SCHEMBL3984848 0.75 MAPT (0.67) MAPTGAAMEN1KMT2AALOX15
SCHEMBL3982203 0.72 MAPT (0.64) MAPTGAAMEN1KMT2AALOX15
SCHEMBL3986612 0.71 MAPT (0.52) MAPTGAAMEN1KMT2AALOX15
SCHEMBL13869918 0.70 FHIT (0.41) MAPTGAATSHRALDH1A1HPGD
SCHEMBL13848534 0.70 MAPT (0.48) MAPTGAAMEN1KMT2AALOX15
SCHEMBL223094 0.68 ALDH1A1 (1.00) MAPTGAAMEN1KMT2AALOX15
SCHEMBL24671856 0.68 ALDH1A1 (0.68) MAPTGAAMEN1KMT2AALOX15

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-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 — — EP disclosed
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