SCHEMBL14220608

SCHEMBL14220608

O=C1C(=Cc2ccc(Oc3ccccc3)nc2)SC(=S)N1Cc1ccc(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.66
▸ KMT2A Q03164 11/20 0.66
▸ POLB P06746 6/20 0.66
▸ GAA P10253 2/20 0.66
▸ CASP3 P42574 2/20 0.66
▸ SENP8 Q96LD8 2/20 0.66
▸ SENP7 Q9BQF6 2/20 0.66
▸ SENP6 Q9GZR1 2/20 0.66
▸ HSP90AA1 P07900 1/20 0.66
▸ PTPN1 P18031 5/20 0.59
▸ MAPK1 P28482 3/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ATM Q13315 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B3 P37058 1/20 0.53
▸ MMP3 P08254 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52

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
SCHEMBL13651165 0.85 MAPK1 (0.60) MEN1KMT2APOLBGAACASP3
SCHEMBL4137558 0.85 MAPK1 (0.60) MEN1KMT2APOLBGAACASP3
SCHEMBL4137556 0.85 MAPK1 (0.60) MEN1KMT2APOLBGAACASP3
SCHEMBL5459723 0.78 MEN1 (0.87) MEN1KMT2APOLBGAACASP3
SCHEMBL5459720 0.78 MEN1 (0.87) MEN1KMT2APOLBGAACASP3
SCHEMBL14220547 0.78 PTPN1 (0.74) MEN1KMT2APOLBGAACASP3
SCHEMBL5457241 0.75 PTPN1 (0.72) MEN1KMT2APOLBGAACASP3
SCHEMBL5457238 0.75 PTPN1 (0.72) MEN1KMT2APOLBGAACASP3
SCHEMBL5457187 0.74 MEN1 (0.76) MEN1KMT2APOLBGAACASP3
SCHEMBL5457193 0.74 MEN1 (0.76) MEN1KMT2APOLBGAACASP3

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-1916249-A1 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents LEK Pharmaceuticals D.D. (SI) 2008-04-30 — — EP disclosed
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