SCHEMBL9844656

SCHEMBL9844656

NC(OCc1ccc2ccccc2n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.55
CYSLTR2 Q9NS75 6/20 0.55
GPBAR1 Q8TDU6 4/20 0.46
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.45
HPGD P15428 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL7504609 0.81 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1MAPK1TP53
SCHEMBL7921077 0.80 GPBAR1 (0.51) CYSLTR1CYSLTR2GPBAR1CYP1A2ALOX5
SCHEMBL7593156 0.78 GPBAR1 (0.52) CYSLTR1CYSLTR2GPBAR1CYP1A2ALOX5
SCHEMBL12530278 0.77 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1CYP1A2PDE10A
SCHEMBL19407459 0.76 GRIN2D (0.53) CYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL1715309 0.74 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL2353460 0.74 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL31570744 0.73 CYSLTR2 (0.51) CYSLTR1CYSLTR2GPBAR1CYP1A2ALDH1A1
SCHEMBL31570746 0.73 CYSLTR2 (0.51) CYSLTR1CYSLTR2GPBAR1CYP1A2ALDH1A1
SCHEMBL1695520 0.72 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414019-A2 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1991-02-27 EP disclosed