SCHEMBL8169694

SCHEMBL8169694

CS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1Nc1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.55
SLC9A2 Q9UBY0 1/20 0.51
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 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
Hydrochloric Acid SCHEMBL8816235 0.99 SLC9A1 (0.54) SLC9A1SLC9A2HTR3EHTR3BHTR3A
SCHEMBL9196979 0.88 SLC9A1 (0.53) SLC9A1SLC9A2AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL8815995 0.87 SLC9A1 (0.52) SLC9A1SLC9A2AKR1C3AKR1C2
SCHEMBL8743846 0.85 SLC9A1 (0.50) SLC9A1SLC9A2
SCHEMBL7764005 0.85 SLC9A1 (0.57) SLC9A1
Hydrochloric Acid SCHEMBL8743834 0.84 SLC9A1 (0.49) SLC9A1SLC9A2
SCHEMBL9193762 0.82 SLC9A1 (0.54) SLC9A1SLC9A2
SCHEMBL8169691 0.81 ADORA3 (0.47) AKR1C3AKR1C2
SCHEMBL7768698 0.81
SCHEMBL8743817 0.81 SLC9A1 (0.55) SLC9A1SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114393-A ADMINISTERING A BENZOYLGUANIDINE COMPOUND ANTIPROTOZOA AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-09-05 US claimed
EP-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP claimed
US-6114393-A ADMINISTERING A BENZOYLGUANIDINE COMPOUND ANTIPROTOZOA AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-09-05 US disclosed
EP-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP disclosed