SCHEMBL9837331

SCHEMBL9837331

O=C(O)CCc1cccc(/C=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.65
CYSLTR1 Q9Y271 14/20 0.65
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL9837337 1.00 CYSLTR2 (0.65) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL9836508 0.85 CYSLTR2 (0.70) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL9836512 0.85 CYSLTR2 (0.70) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL7496756 0.82 CYSLTR2 (0.68) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL7496760 0.82 CYSLTR2 (0.68) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL9837804 0.81 CYSLTR2 (0.60) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL9837811 0.81 CYSLTR2 (0.60) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL3627230 0.81 KEAP1 (0.60) KDM4EPKM
SCHEMBL27340570 0.81 CYSLTR2 (0.62) CYSLTR2CYSLTR1KDM4ELMNANPC1
SCHEMBL7502719 0.79 CYSLTR2 (0.63) CYSLTR2CYSLTR1KDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP claimed
EP-0219308-A2 2-Substituted quinolines MERCK FROSST CANADA INC. (CA) 1987-04-22 EP claimed
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed
EP-0219308-A2 2-Substituted quinolines MERCK FROSST CANADA INC. (CA) 1987-04-22 EP disclosed