SCHEMBL9018955

SCHEMBL9018955

CCCCC(N)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.61
CYSLTR2 Q9NS75 8/20 0.61
GPBAR1 Q8TDU6 5/20 0.61
ALOX5 P09917 4/20 0.60
MAPK1 P28482 2/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
MEN1 O00255 1/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58

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
SCHEMBL8666312 0.87 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL29426330 0.83 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL10544630 0.83 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL9018916 0.82 ALOX5 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL10411470 0.81 ALOX5 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL10410383 0.80 CYSLTR2 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL10411468 0.80 ALOX5 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL10410457 0.80 ALOX5 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL8715478 0.79 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1
SCHEMBL9498315 0.79 ALOX5 (0.63) CYSLTR1CYSLTR2GPBAR1ALOX5MAPK1

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
EP-0414019-B1 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1996-05-29 EP disclosed
US-5179106-A SUBSTITUTED N-(QUINOLIN-2-YL-METHOXY) BENZYL-SULPHONYLUREA LEUKOTRIENE SYNTHESIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1993-01-12 US disclosed
EP-0414019-A2 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1991-02-27 EP disclosed