SCHEMBL6935256

SCHEMBL6935256

CCc1cc(Sc2ccc(C)cc2)c(C(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
KCNH2 Q12809 1/20 0.38
ICAM1 P05362 3/20 0.36
SELE P16581 3/20 0.36
VCAM1 P19320 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6935062 0.91 ICAM1 (0.40) SLC9A1KCNH2ICAM1SELE
SCHEMBL6935135 0.90 SLC9A1 (0.38) SLC9A1KCNH2ICAM1SELE
SCHEMBL6936971 0.90 PLAU (0.40) SLC9A1KCNH2ICAM1SELE
SCHEMBL6935108 0.88 SLC9A1 (0.40) SLC9A1KCNH2ICAM1SELE
SCHEMBL6932311 0.87 SLC9A1 (0.47) SLC9A1KCNH2
SCHEMBL6935490 0.87 SLC9A1 (0.39) SLC9A1KCNH2ICAM1SELEVCAM1
SCHEMBL6935163 0.84 SLC6A2 (0.42) SLC9A1
SCHEMBL6932344 0.83 SLC9A1 (0.39) SLC9A1KCNH2ICAM1SELE
SCHEMBL6932306 0.83 SLC9A1 (0.40) SLC9A1KCNH2
SCHEMBL6935364 0.83 SLC9A1 (0.43) 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