SCHEMBL7855692

SCHEMBL7855692

COc1ccc(Cl)c2nc(S(=O)(=O)Nc3c(C)ccnc3F)nn12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CCR9 P51686 1/20 0.31
CCR4 P51679 1/20 0.31
SCN9A Q15858 2/20 0.31
PDE4B Q07343 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7842349 0.82 GAA (0.39) TSHRCCR4SMN1; SMN2
SCHEMBL7850611 0.81 FFAR4 (0.34) TSHRFFAR4SCN9A
SCHEMBL7851018 0.78 TSHR (0.35) TSHRFFAR4SCN9A
SCHEMBL8881128 0.78 SCN9A (0.33) TSHRSCN9ASMN1; SMN2
SCHEMBL8884295 0.74 CCR4 (0.35) TSHRCCR9CCR4SMN1; SMN2
SCHEMBL7848833 0.74 SLC40A1 (0.35) TSHRCCR4SMN1; SMN2
SCHEMBL7850136 0.73 PDE4B (0.32) PDE4B
SCHEMBL7842457 0.73 KDM4E (0.32) TSHR
SCHEMBL8826015 0.73 CCR4 (0.34) CCR4
SCHEMBL8881441 0.73 CCR4 (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 US disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed