SCHEMBL8059253

SCHEMBL8059253

CCc1cc(C#N)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.53

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
SCHEMBL8573232 0.90 SLC9A1 (0.51) SLC9A1
SCHEMBL8529967 0.90 SLC9A1 (0.53) SLC9A1
SCHEMBL7798688 0.87 SLC9A1 (0.53) SLC9A1
SCHEMBL8668876 0.87 SLC9A1 (0.53) SLC9A1
SCHEMBL8576680 0.87 SLC9A1 (0.58) SLC9A1
SCHEMBL6932523 0.85 SLC9A1 (0.68) SLC9A1
SCHEMBL8043534 0.84 SLC9A1 (0.72) SLC9A1
SCHEMBL8528786 0.84 SLC9A1 (0.50) SLC9A1
SCHEMBL8534951 0.84 SLC9A1 (0.61) SLC9A1
Hydrochloric Acid SCHEMBL8975084 0.83 SLC9A1 (0.70) 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 3 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 disclosed
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 US disclosed
EP-0704431-A2 Ortho-substituted benzoic acid derivatives MERCK PATENT GmbH (DE) 1996-04-03 EP disclosed