SCHEMBL6935586

SCHEMBL6935586

CCc1cc(S(=O)(=O)C2CC2)c(C(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.43
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL6935488 0.96 SLC9A1 (0.41) SLC9A1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL6938050 0.96 SLC9A1 (0.41) SLC9A1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL6935261 0.95 SLC9A1 (0.41) SLC9A1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL8539035 0.95 SLC9A1 (0.41) SLC9A1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL6935156 0.86 SLC9A1 (0.40) SLC9A1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL6937870 0.86 SLC9A1 (0.54) SLC9A1KCNH2
SCHEMBL6935415 0.84 SLC9A1 (0.50) SLC9A1
SCHEMBL8538192 0.84 SLC9A1 (0.41) SLC9A1
SCHEMBL6938584 0.83 SLC9A1 (0.40) SLC9A1
SCHEMBL6932148 0.82 SLC9A1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758644-B1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 2003-10-15 EP disclosed
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