SCHEMBL6935108

SCHEMBL6935108

CCc1cc(Sc2cccc(C)c2)c(C(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
SCN2A Q99250 1/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6935163 0.90 SLC6A2 (0.42) SLC9A1
SCHEMBL6935364 0.89 SLC9A1 (0.43) SLC9A1
SCHEMBL6934533 0.88 SLC9A1 (0.44) SLC9A1ICAM1SELESCN2AKCNH2
SCHEMBL6935256 0.88 SLC9A1 (0.38) SLC9A1ICAM1SELEKCNH2
SCHEMBL6935490 0.84 SLC9A1 (0.39) SLC9A1ICAM1SELEKCNH2
SCHEMBL6935062 0.84 ICAM1 (0.40) SLC9A1ICAM1SELEKCNH2
SCHEMBL6932344 0.83 SLC9A1 (0.39) SLC9A1ICAM1SELEKCNH2
SCHEMBL6936971 0.83 PLAU (0.40) SLC9A1ICAM1SELEKCNH2
SCHEMBL6935135 0.83 SLC9A1 (0.38) SLC9A1ICAM1SELEKCNH2
SCHEMBL6932306 0.83 SLC9A1 (0.40) SLC9A1KCNH2

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