SCHEMBL8667613

SCHEMBL8667613

CS(=O)(=O)c1cc(C(=O)Cl)ccc1C1C=CCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
SCN9A Q15858 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL27394447 0.84 SLC9A1 (0.43) SLC9A1SLC9A2
SCHEMBL7792892 0.82 SLC9A1 (0.60) SLC9A1SLC9A2
SCHEMBL8664579 0.81 SLC9A1 (0.39) SLC9A1
SCHEMBL8665276 0.76 SLC9A1 (0.32) SLC9A1
SCHEMBL8664678 0.73 SLC9A1 (0.38) SLC9A1
SCHEMBL2421227 0.69 SMN1; SMN2 (0.43) SLC9A1
SCHEMBL31401408 0.68 SLC9A1 (0.53) SLC9A1
SCHEMBL9900899 0.67 PTK2B (0.42) SLC9A1SLC9A2
SCHEMBL15465419 0.67 CCR2 (0.42)
SCHEMBL3976379 0.65 SLC9A1 (0.62) SLC9A1SLC9A2

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-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed