SCHEMBL8538237

SCHEMBL8538237

CCc1cc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.44
KMT2A Q03164 2/20 0.44
SLC9A1 P19634 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38

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
SCHEMBL7070825 0.91 SLC9A1 (0.42) SLC9A1
SCHEMBL6932460 0.90 PLAU (0.39) KMT2ASLC9A1MEN1
SCHEMBL6938051 0.90 KIF18A (0.44) KIF18AKMT2ASLC9A1MEN1
SCHEMBL6937331 0.90 SLC9A1 (0.40) SLC9A1
SCHEMBL6932987 0.89 MAPT (0.44) KIF18ASLC9A1
SCHEMBL6937615 0.88 HPD (0.37) SLC9A1
SCHEMBL6938965 0.87 SLC9A1 (0.39) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6932550 0.87 SLC9A1 (0.51) KIF18AKMT2ASLC9A1MEN1
SCHEMBL27531430 0.87 KIF18A (0.46) KIF18AKMT2AMEN1POLBABCC9
SCHEMBL6937336 0.86 ALDH1A1 (0.44) KMT2ASLC9A1MEN1POLBF2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed