SCHEMBL9255773

SCHEMBL9255773

O=Cc1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 13/20 0.47
▸ CYSLTR1 Q9Y271 13/20 0.47
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ ECE2 P0DPD6 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9255780 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL8123104 0.78 CYSLTR2 (0.50) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL8123102 0.78 CYSLTR2 (0.50) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL4543896 0.76 CYSLTR2 (0.60) CYSLTR2CYSLTR1
SCHEMBL919522 0.70 CYSLTR1 (0.57) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL30530488 0.70 CYSLTR1 (0.57) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL919524 0.70 CYSLTR1 (0.57) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL5708661 0.68 CYSLTR2 (0.68) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL5708663 0.68 CYSLTR2 (0.68) CYSLTR2CYSLTR1MEN1KMT2ANPC1
SCHEMBL18002621 0.67 PTGS1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 — — US disclosed
Send feedback