SCHEMBL7710816

SCHEMBL7710816

O=S(=O)(NCC(O)c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.64
CYSLTR2 Q9NS75 5/20 0.64
GPBAR1 Q8TDU6 4/20 0.59
MAPK1 P28482 2/20 0.59
ALOX5 P09917 2/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59
MEN1 O00255 1/20 0.59
GMNN O75496 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59

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
SCHEMBL10375898 0.82 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10632284 0.80 CYSLTR1 (0.75) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10551528 0.80 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10375899 0.79 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1ALOX5
Ritolukast SCHEMBL38043 0.79 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1MAPK1TP53
SCHEMBL10556228 0.78 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10551572 0.78 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10636181 0.78 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10635784 0.78 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5
SCHEMBL10552847 0.78 CYSLTR1 (0.63) CYSLTR1CYSLTR2GPBAR1MAPK1ALOX5

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
US-6358981-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 US claimed
US-4876346-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, RHINITIS, ASTHMA AMERICAN HOME PRODUCTS CORPORATION (US) 1989-10-24 US claimed
US-4876346-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, RHINITIS, ASTHMA AMERICAN HOME PRODUCTS CORPORATION (US) 1989-10-24 US disclosed