SCHEMBL4784404

SCHEMBL4784404

Cc1cccc(-c2nc(C)c(C(=O)N=C(N)N)n2C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 12/20 0.51
BACE1 P56817 1/20 0.45
SLC9A5 Q14940 1/20 0.44
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
TLR8 Q9NR97 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
SCHEMBL4786226 0.89 SLC9A1 (0.52) SLC9A1
SCHEMBL4787624 0.88 CYP1A2 (0.49) SLC9A1SLC9A5
SCHEMBL4787413 0.80 TP53 (0.51) SLC9A1BACE1SLC9A5
SCHEMBL4784399 0.77 RAB9A (0.38) SLC9A1TLR8
SCHEMBL4788479 0.75 SLC9A1 (0.49) SLC9A1BACE1
Hydrochloric Acid SCHEMBL7830653 0.72 SLC9A1 (0.58) SLC9A1BACE1
SCHEMBL2682845 0.71 CYP1A2 (0.55)
SCHEMBL4786806 0.71 ALDH1A1 (0.48) SLC9A1BACE1
SCHEMBL29171117 0.70 RAB9A (0.46)
SCHEMBL30785610 0.70 RAB9A (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008111794-A1 4-METHYLIMIDAZOL-5-YLCARBONYLGUANIDINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE ISCHEMIC HEART DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-18 WO disclosed