SCHEMBL8575151

SCHEMBL8575151

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

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.55

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
SCHEMBL8534253 0.88 SLC9A1 (0.63) SLC9A1
SCHEMBL8575316 0.84 SLC9A1 (0.55) SLC9A1
SCHEMBL8578712 0.83 SLC9A1 (0.53) SLC9A1
SCHEMBL7799001 0.83 SLC9A1 (0.72) SLC9A1
SCHEMBL8533105 0.83 SLC9A1 (0.52) SLC9A1
SCHEMBL7800866 0.81 SLC9A1 (0.78) SLC9A1
SCHEMBL8574164 0.80 CA12 (0.46) SLC9A1
SCHEMBL8447087 0.79 SLC9A1 (0.71) SLC9A1
SCHEMBL8530945 0.79 SLC9A1 (0.53) SLC9A1
SCHEMBL8056388 0.78 SLC9A1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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