SCHEMBL8445928

SCHEMBL8445928

CC(=O)c1ccc(O)c(C(=O)N=C(N)N)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
SLC9A1 P19634 1/20 0.43
HSD17B1 P14061 1/20 0.41
PLAU P00749 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TPH1 P17752 1/20 0.40
POLB P06746 1/20 0.40

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
Hydrochloric Acid SCHEMBL8445406 0.98 PKM (0.44) PKMSLC9A1HSD17B1PLAUNOS3
SCHEMBL8446223 0.87 HTR2B (0.45) SLC9A1TPH1
SCHEMBL322274 0.80 PKM (0.52) PKMHSD17B1NOS3NOS1HTT
SCHEMBL29803190 0.80 PKM (0.52) PKMHSD17B1NOS3NOS1HTT
SCHEMBL7295677 0.78 PKM (0.57) PKMHSD17B1HTTPOLB
SCHEMBL14265179 0.76 TPH1 (0.56) SLC9A1NOS3NOS1TPH1
SCHEMBL29955411 0.74 CSNK2A1 (0.59) PKMHTTCA1CA2
SCHEMBL458033 0.74 CSNK2A1 (0.59) PKMHTTCA1CA2
SCHEMBL3183606 0.73 PKM (0.52) PKMHSD17B1HTTCA1CA2
Hydrochloric Acid SCHEMBL8643344 0.72 HTR2B (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628543-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1999-06-16 EP claimed