SCHEMBL8666430

SCHEMBL8666430

C=CCCc1ccc(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.32
SLC9A2 Q9UBY0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
EPHX2 P34913 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8664475 0.86 POLB (0.38) SLC9A1SLC9A2SMN1; SMN2KMT2ALMNA
SCHEMBL8667529 0.85 SLC9A1 (0.33) SLC9A1SLC9A2EPHX2
SCHEMBL8667526 0.85 SLC9A1 (0.33) SLC9A1SLC9A2EPHX2
SCHEMBL8667468 0.84 KMT2A (0.32) SLC9A1SLC9A2SMN1; SMN2KMT2AALDH1A1
SCHEMBL8667466 0.84 KMT2A (0.32) SLC9A1SLC9A2SMN1; SMN2KMT2AALDH1A1
SCHEMBL7798673 0.81 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL27374611 0.80 THRA (0.39) SMN1; SMN2KMT2A
SCHEMBL8664484 0.80 SLC9A1 (0.37) SLC9A1
SCHEMBL8662721 0.77
SCHEMBL8666395 0.76 SLC9A1 (0.35) 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