SCHEMBL8446271

SCHEMBL8446271

CC(=O)c1cc(C(=O)N=C(N)N)cc(Br)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.41
PLAU P00749 3/20 0.40
TTR P02766 1/20 0.38
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TPH1 P17752 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 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
Hydrochloric Acid SCHEMBL8443394 0.98 SLC9A1 (0.40) SLC9A1PLAUTTRF2F10
SCHEMBL8446639 0.81 SLC9A1 (0.44) SLC9A1TTRHTR7HTR2B
Hydrochloric Acid SCHEMBL8443013 0.80 SLC9A1 (0.43) SLC9A1TTRHTR7HTR2B
Hydrochloric Acid SCHEMBL8639710 0.80 TSHR (0.46) SLC9A1PLAU
SCHEMBL13449170 0.79 TTR (0.48) PLAUTTRF2F10PLG
Hydrochloric Acid SCHEMBL8643356 0.77 SLC9A1 (0.36) SLC9A1PLAUTPH1
SCHEMBL1638962 0.76 TTR (0.67) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8742205 0.74 GSK3B (0.50) SLC9A1PLAUTPH1HTR7HTR2B
SCHEMBL8446223 0.74 HTR2B (0.45) SLC9A1TPH1HTR7HTR2B
Hydrochloric Acid SCHEMBL8742121 0.73 GSK3B (0.48) SLC9A1PLAUHTR7HTR2B

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