SCHEMBL9722149

SCHEMBL9722149

O=S(=O)(Nc1cccc(OCc2csc(Cc3ccccc3)n2)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.60
CYSLTR1 Q9Y271 3/20 0.60
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CTPS1 P17812 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10516601 0.87 DRD2 (0.52) CYSLTR2CYSLTR1HDAC1HDAC6MAPT
SCHEMBL9721984 0.86 CYSLTR2 (0.62) CYSLTR2CYSLTR1MAPTTP53PPARA
SCHEMBL9722077 0.81 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTPS1PPARAPPARG
SCHEMBL9722007 0.81 CYSLTR2 (0.58) CYSLTR2CYSLTR1MAPTTP53PPARA
SCHEMBL9722119 0.80 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTTP53CTPS1
SCHEMBL9721963 0.80 CYSLTR2 (0.56) CYSLTR2CYSLTR1MAPTTP53CTPS1
SCHEMBL9721919 0.80 CYSLTR2 (0.56) CYSLTR2CYSLTR1MAPTTP53PPARA
SCHEMBL9721973 0.79 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTPS1PPARAPPARG
SCHEMBL9721986 0.79 CYSLTR2 (0.56) CYSLTR2CYSLTR1MAPTTP53PPARA
SCHEMBL9721936 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1MAPTCTPS1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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