SCHEMBL8631091

SCHEMBL8631091

CCc1cc(N2CCCC2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SLC6A9 P48067 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8637588 0.99 SLC9A1 (0.44) SLC9A1ALDH1A1SLC6A9MEN1KMT2A
SCHEMBL8635738 0.83 SLC9A1 (0.47) SLC9A1ALDH1A1SLC6A9
SCHEMBL8705791 0.83 KDM4E (0.45) SLC9A1ALDH1A1SLC6A9
SCHEMBL7766580 0.81 SLC9A1 (0.61) SLC9A1
SCHEMBL7764104 0.80 SLC9A1 (0.63) SLC9A1
SCHEMBL8538752 0.79 SLC9A1 (0.39) SLC9A1
SCHEMBL8542805 0.74 SLC9A1 (0.36) SLC9A1
SCHEMBL7158966 0.73 SLC9A1 (0.48) SLC9A1ALDH1A1MEN1KMT2A
SCHEMBL9746223 0.73 SLC9A1 (0.64) SLC9A1ALDH1A1SLC6A9MEN1KMT2A
SCHEMBL27373283 0.73 FLT1 (0.35) SLC9A1

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-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed