SCHEMBL14220547

SCHEMBL14220547

O=C(O)c1ccc(C=C2SC(=S)N(Cc3ccc(O)c(O)c3)C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.74
▸ DUSP22 Q9NRW4 1/20 0.74
▸ NLRP3 Q96P20 4/20 0.72
▸ MEN1 O00255 2/20 0.69
▸ POLB P06746 2/20 0.69
▸ CASP3 P42574 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ SENP8 Q96LD8 2/20 0.69
▸ SENP7 Q9BQF6 2/20 0.69
▸ SENP6 Q9GZR1 2/20 0.69
▸ HSP90AA1 P07900 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ PTPN12 Q05209 1/20 0.65
▸ PTPN22 Q9Y2R2 1/20 0.65
▸ ACP1 P24666 2/20 0.61
▸ MAPK1 P28482 1/20 0.60
▸ PTPN2 P17706 1/20 0.58

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
SCHEMBL28687393 0.83 NLRP3 (1.00) PTPN1DUSP22NLRP3MEN1POLB
SCHEMBL28687390 0.83 NLRP3 (1.00) PTPN1DUSP22NLRP3MEN1POLB
SCHEMBL4125637 0.83 PTPN1 (0.67) PTPN1DUSP22NLRP3MEN1POLB
SCHEMBL4125640 0.83 PTPN1 (0.67) PTPN1DUSP22NLRP3MEN1POLB
SCHEMBL23001307 0.81 NLRP3 (1.00) PTPN1DUSP22NLRP3MEN1KMT2A
SCHEMBL29365020 0.81 NLRP3 (1.00) PTPN1DUSP22NLRP3MEN1KMT2A
SCHEMBL22469940 0.81 NLRP3 (1.00) PTPN1DUSP22NLRP3MEN1KMT2A
SCHEMBL22469941 0.81 NLRP3 (1.00) PTPN1DUSP22NLRP3MEN1KMT2A
SCHEMBL5459723 0.80 MEN1 (0.87) PTPN1DUSP22NLRP3MEN1POLB
SCHEMBL5459720 0.80 MEN1 (0.87) PTPN1DUSP22NLRP3MEN1POLB

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-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
WO-2008043733-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS LEK PHARMACEUTICAL D.D. (SI) 2008-04-17 — — WO disclosed
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