SCHEMBL8530352

SCHEMBL8530352

CC1=CCSc2cc(C(=O)N=C(N)N)c(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.46

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
SCHEMBL8532616 0.76 SLC9A1 (0.44) SLC9A1
SCHEMBL8058217 0.72
SCHEMBL13602345 0.70 SLC9A1 (0.64) SLC9A1
SCHEMBL8528378 0.70 SLC9A1 (0.46) SLC9A1
SCHEMBL8529710 0.69 SLC9A1 (0.47) SLC9A1
SCHEMBL8528764 0.68 SLC9A1 (0.44) SLC9A1
SCHEMBL12366983 0.68 HTR2B (0.48) SLC9A1
SCHEMBL8056469 0.67
SCHEMBL8056291 0.66
Hydrochloric Acid SCHEMBL8393812 0.65 SLC9A1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873335-A1 HETEROCYCLYL-CONDENSED BENZOYLGUANIDINES, THEIR PRODUCTION AND USE AS INHIBITORS OF THE CELLULAR Na+/H+-ANTIPORTER MERCK PATENT GmbH (DE) 1998-10-28 EP disclosed
WO-1997023476-A1 HETEROCYCLYL-CONDENSED BENZOYLGUANIDINES, THEIR PRODUCTION AND USE AS INHIBITORS OF THE CELLULAR Na+/H+-ANTIPORTER MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-07-03 WO disclosed