SCHEMBL5712907

SCHEMBL5712907

O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3cc(S)ccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ THRB P10828 2/20 0.63
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PTPRA P18433 1/20 0.54
▸ PTPRB P23467 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MPL P40238 2/20 0.48
▸ CTRC Q99895 1/20 0.48
▸ SENP7 Q9BQF6 2/20 0.47
▸ SUMO2 P61956 1/20 0.47

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
SCHEMBL30940027 0.89 CYP1A2 (0.85) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL142459 0.89 CYP1A2 (0.85) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL14418343 0.89 CYP1A2 (0.85) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL112146 0.89 CYP1A2 (0.85) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL628908 0.89 CYP1A2 (0.85) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL4808250 0.88 CYP1A2 (0.83) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL28291310 0.88 CYP1A2 (0.83) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL142457 0.88 CYP1A2 (0.83) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL30486026 0.88 CYP1A2 (0.83) CYP1A2CYP2C9THRBMAPTKMT2A
SCHEMBL15424235 0.86 MAPT (0.74) CYP1A2CYP2C9THRBMAPTKMT2A

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-2006112533-A1 WATER-CONTAINING GEL FORM AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2006-10-26 — — WO disclosed
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