SCHEMBL8901312

SCHEMBL8901312

COc1ncc(Cl)c2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nn12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
TSHR P16473 1/20 0.33
CCR4 P51679 6/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL9642244 0.91 SCN9A (0.34) CCR4SCN9A
SCHEMBL9536404 0.87 CCR4 (0.38) TSHRCCR4
SCHEMBL8884295 0.84 CCR4 (0.35) TSHRCCR4SMN1; SMN2
SCHEMBL9536906 0.83 SMN1; SMN2 (0.34) PTGS2TSHRCCR4SMN1; SMN2HIF1A
SCHEMBL8848553 0.82 CCR4 (0.39) TSHRCCR4SMN1; SMN2MAPK1KMT2A
SCHEMBL9534730 0.81 SMN1; SMN2 (0.39) PTGS2TSHRCCR4FFAR4SMN1; SMN2
SCHEMBL910148 0.80 TSHR (0.36) PTGS2TSHRFFAR4MEN1MAPK1
SCHEMBL909656 0.80 TSHR (0.36) PTGS2TSHRFFAR4SMN1; SMN2ALDH1A1
SCHEMBL6244148 0.77 CCR4 (0.39) TSHRCCR4
SCHEMBL8556082 0.77 CCR4 (0.41) TSHRCCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2598540-B2 1997-04-09 JP claimed
WO-1989011782-A1 ALKOXY-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE-2-SULFONAMIDES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THE DOW CHEMICAL COMPANY (US) 1989-12-14 WO claimed
EP-0343752-A1 Alkoxy-1,2,4-triazolo (1,5-c) pyrimidine-2-sulfonamides, process for their preparation and intermediates DowElanco (US) 1989-11-29 EP claimed