SCHEMBL7797853

SCHEMBL7797853

NC(N)=NC(=O)c1cc(I)c(O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.50
PLAU P00749 1/20 0.38

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 SCHEMBL7791939 0.98 SLC9A1 (0.49) SLC9A1PLAU
SCHEMBL7797861 0.78 SLC9A1 (0.47) SLC9A1
Hydrochloric Acid SCHEMBL7791916 0.76 SLC9A1 (0.46) SLC9A1
SCHEMBL7797783 0.75 SLC9A1 (0.45) SLC9A1PLAU
SCHEMBL1046924 0.74 ALDH1A1 (0.50)
Hydrochloric Acid SCHEMBL7799870 0.74 SLC9A1 (0.44) SLC9A1PLAU
Hydrochloric Acid SCHEMBL8392499 0.72 SLC9A1 (0.56) SLC9A1
Hydrochloric Acid SCHEMBL8393886 0.72 SMN1; SMN2 (0.53) SLC9A1
SCHEMBL7799858 0.72 SLC9A1 (0.53) SLC9A1PLAU
Hydrochloric Acid SCHEMBL7799855 0.71 SLC9A1 (0.51) SLC9A1PLAU

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-0794172-B1 Orthosubstituted benzoylguanidines HOECHST AG (DE) 2001-10-24 EP claimed
US-6262123-B1 AS ANTIARRHYTHMIC AGENTS HAVING CARDIOPROTECTIVE COMPONENT, FOR PROPHYLAXIS AND TREATMENT OF INFARCTION AND ANGINA PECTORIS; FOR INHIBITION OF PATHOPHYSIOLOGICAL PROCESSES ASSOCIATED WITH GENESIS OF ISCHEMICALLY INDUCED DAMAGE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-17 US claimed