SCHEMBL8043534

SCHEMBL8043534

Cc1cc(C#N)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.72

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 SCHEMBL8975084 0.99 SLC9A1 (0.70) SLC9A1
SCHEMBL8532054 0.89 SLC9A1 (0.63) SLC9A1
SCHEMBL8576680 0.89 SLC9A1 (0.58) SLC9A1
SCHEMBL7799001 0.86 SLC9A1 (0.72) SLC9A1
SCHEMBL8664936 0.86 SLC9A1 (0.72) SLC9A1
Rimeporide SCHEMBL16712399 0.86 SLC9A1 (0.97) SLC9A1
Rimeporide SCHEMBL1020614 0.84 SLC9A1 (0.94) SLC9A1
SCHEMBL8578712 0.84 SLC9A1 (0.53) SLC9A1
SCHEMBL8059253 0.84 SLC9A1 (0.53) SLC9A1
Rimeporide SCHEMBL1019633 0.84 SLC9A1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704431-B1 Ortho-substituted benzoic acid derivatives MERCK PATENT GMBH (DE) 2000-05-24 EP claimed
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 US claimed
EP-0704431-A2 Ortho-substituted benzoic acid derivatives MERCK PATENT GmbH (DE) 1996-04-03 EP claimed
EP-0704431-B1 Ortho-substituted benzoic acid derivatives MERCK PATENT GMBH (DE) 2000-05-24 EP disclosed
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 US disclosed