SCHEMBL8123102

SCHEMBL8123102

C=CC(O)c1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 15/20 0.50
▸ CYSLTR1 Q9Y271 15/20 0.50
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.33
▸ ECE2 P0DPD6 1/20 0.33
▸ AGTR1 P30556 1/20 0.33

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
SCHEMBL8123104 1.00 CYSLTR2 (0.50) CYSLTR2CYSLTR1MEN1NPC1KMT2A
SCHEMBL9255780 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1MEN1NPC1KMT2A
SCHEMBL9255773 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1MEN1NPC1KMT2A
SCHEMBL626121 0.75 CYSLTR1 (0.59) CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL30530485 0.75 CYSLTR1 (0.59) CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL3331416 0.75 CYSLTR1 (0.59) CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL8123334 0.75 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL8554761 0.75 CYSLTR2 (0.58) CYSLTR2CYSLTR1
SCHEMBL4543898 0.75 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL8554758 0.75 CYSLTR2 (0.58) CYSLTR2CYSLTR1

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-0604114-B1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 2000-05-03 — — EP disclosed
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 — — US disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 — — WO disclosed
EP-0604114-A1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1994-06-29 — — EP disclosed
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