SCHEMBL12177366

SCHEMBL12177366

COc1ccc(-c2csc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.54
▸ PPARG P37231 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ PTPN1 P18031 2/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL12177367 0.95 MAPK1 (0.49) ENPP2PPARGALDH1A1PTPN1
SCHEMBL12177406 0.91 PPARG (0.54) ENPP2PPARGALDH1A1PTPN1MEN1
SCHEMBL12177484 0.90 PPARG (0.55) ENPP2PPARGALDH1A1PTPN1MEN1
SCHEMBL12177155 0.89 PPARG (0.63) ENPP2PPARGALDH1A1PTPN1
SCHEMBL12177690 0.88 PPARG (0.59) ENPP2PPARGALDH1A1PTPN1MEN1
SCHEMBL12177385 0.87 ENPP2 (0.71) ENPP2PPARGPTPN1
SCHEMBL12177349 0.87 PPARG (0.64) ENPP2PPARGALDH1A1PTPN1
SCHEMBL12177303 0.85 ENPP2 (0.55) ENPP2PTPN1
SCHEMBL12177549 0.84 PPARG (0.64) ENPP2PPARGPTPN1HPGDNPSR1
SCHEMBL12177128 0.84 PTPN1 (0.61) ENPP2PPARGPTPN1

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
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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