SCHEMBL10375899

SCHEMBL10375899

O=S(=O)(NCCc1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.68
CYSLTR2 Q9NS75 6/20 0.68
GPBAR1 Q8TDU6 3/20 0.57
ALOX5 P09917 1/20 0.52

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
Ritolukast SCHEMBL38043 0.81 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7710816 0.79 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10375898 0.77 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7092704 0.77 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8506678 0.77 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8506505 0.77 CYSLTR1 (0.81) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8321128 0.76 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10685299 0.75 CYSLTR1 (0.80) CYSLTR1CYSLTR2
SCHEMBL9656045 0.75 CYSLTR1 (0.85) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4848317 0.74 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904786-A Quinoline compounds as antiallergic and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-02-27 US disclosed
US-4772703-A LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-20 US disclosed