SCHEMBL9604332

SCHEMBL9604332

CN(C)C(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.64
CYSLTR2 Q9NS75 3/20 0.64
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL7717113 0.87 CYSLTR1 (0.68) CYSLTR1CYSLTR2KDM4EMEN1NPC1
Water SCHEMBL9719934 0.86 CYSLTR1 (0.67) CYSLTR1CYSLTR2KDM4EMEN1NPC1
SCHEMBL7454127 0.83 CYSLTR1 (0.63) CYSLTR1CYSLTR2KDM4EMEN1NPC1
SCHEMBL8180018 0.82 CYSLTR2 (0.67) CYSLTR1CYSLTR2
SCHEMBL7460333 0.81 CYSLTR1 (0.66) CYSLTR1CYSLTR2KDM4EMEN1NPC1
SCHEMBL14021617 0.79 CYSLTR1 (0.70) CYSLTR1CYSLTR2
SCHEMBL10484526 0.79 CYSLTR1 (0.81) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8180186 0.79 CYSLTR2 (1.00) CYSLTR1CYSLTR2
SCHEMBL10806965 0.78 PDK1 (0.61) MEN1NPC1LMNACYP2D6KMT2A
SCHEMBL9215770 0.78 CYSLTR1 (0.64) CYSLTR1CYSLTR2KDM4EMEN1NPC1

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
US-5179106-A SUBSTITUTED N-(QUINOLIN-2-YL-METHOXY) BENZYL-SULPHONYLUREA LEUKOTRIENE SYNTHESIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1993-01-12 US disclosed