SCHEMBL9721963

SCHEMBL9721963

O=S(=O)(Nc1cccc(OCc2csc(-c3ccc(Cl)cc3)n2)c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
GPR119 Q8TDV5 1/20 0.49
SCN9A Q15858 8/20 0.44
KCNH2 Q12809 3/20 0.44
CTPS1 P17812 1/20 0.44
KDM1A O60341 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL9722007 0.92 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARGPPARAGPR119
SCHEMBL9721984 0.91 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARGPPARAMAPT
SCHEMBL9721919 0.90 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARGPPARAMAPT
SCHEMBL9721986 0.90 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARGPPARAMAPT
SCHEMBL10520042 0.87 PPARA (0.56) PPARGPPARAGPR119SCN9AKCNH2
SCHEMBL6487034 0.86 SCN9A (0.45) CYSLTR2CYSLTR1SCN9AKCNH2MAPT
SCHEMBL9721936 0.86 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARGPPARAGPR119
SCHEMBL6482379 0.85 CTPS1 (0.43) CYSLTR2CYSLTR1PPARGPPARAGPR119
SCHEMBL9722077 0.84 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARAGPR119
SCHEMBL9721973 0.84 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARGPPARAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826990-A LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US claimed
EP-0310370-A1 2-aryl substituted heterocyclic compounds as antiallgeric and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP claimed
US-5103014-A Antiinflammatory or/and antiallergic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-07 US disclosed
US-4942236-A ANTIASTHMATICS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-07-17 US disclosed
US-4895953-A 2-Aryl substituted heterocyclic compounds as antiallergic and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 US disclosed
US-4826990-A LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US disclosed