SCHEMBL7682009

SCHEMBL7682009

O=S(=O)(CC(F)(F)F)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.32
PSIP1 O75475 1/20 0.31
PLCG1 P19174 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
MMP1 P03956 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7684910 0.84 MEN1 (0.34) MEN1ALDH1A1KMT2AMMP13
SCHEMBL7687312 0.81 ALDH1A1 (0.33) PNMTMEN1ALDH1A1KMT2A
SCHEMBL3198080 0.79 ALDH1A1 (0.44) MEN1ALDH1A1KMT2AMMP13PSIP1
SCHEMBL778104 0.78 PSIP1 (0.54) ALDH1A1KMT2APSIP1HSD11B1
SCHEMBL776676 0.77 ALDH1A1 (0.43) PNMTMEN1ALDH1A1KMT2AMMP13
SCHEMBL23501536 0.75 GAA (0.55) PNMTMEN1ALDH1A1KMT2AMMP13
SCHEMBL8795743 0.75 CA2 (0.52) PNMTMEN1ALDH1A1KMT2AMMP1
SCHEMBL3109115 0.75 PLCG1 (0.59) PNMTMEN1ALDH1A1KMT2AMMP13
SCHEMBL159760 0.73 PSIP1 (0.58) MEN1ALDH1A1KMT2APSIP1PLCG1
SCHEMBL9303097 0.72 PNMT (0.44) PNMTMEN1ALDH1A1KMT2AMMP13

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013171729-A2 ARYL AND HETEROARYL AMIDE COMPOUNDS AS RORGAMAT MODULATOR GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-21 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP disclosed
US-5792780-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0657449-B1 Azole compounds, their production and use as antifungal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-04-08 EP disclosed
US-5545652-A Triazole and imidazole compounds and their use as antifungal therapeutic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
EP-0657449-A1 Azole compounds, their production and use as antifungal agents Takeda Chemical Industries, Ltd. (JP) 1995-06-14 EP disclosed
EP-0097270-A1 Organophosphate derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-01-04 EP disclosed