SCHEMBL27367144

SCHEMBL27367144

C=NC(=O)c1ccc(C(C)CC)c(S(C)(=O)=O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.32
SLC9A2 Q9UBY0 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL27370527 0.86 TSHR (0.31) SLC9A1SLC9A2TSHR
SCHEMBL27447733 0.86 TSHR (0.31) SLC9A1SLC9A2TSHR
SCHEMBL8532443 0.85 SLC9A1 (0.46) SLC9A1SLC9A2
SCHEMBL27351351 0.85 TSHR (0.30) TSHR
SCHEMBL27351350 0.84
SCHEMBL8580346 0.81 KDM4E (0.37) TSHR
SCHEMBL27366156 0.74
SCHEMBL27439069 0.74
SCHEMBL8529735 0.73 SLC9A1 (0.44) SLC9A1SLC9A2
SCHEMBL27439064 0.73 THRA (0.32)

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
CN-1055920-C Alkyl benzoylguanidines derivatives MERCK PATENT GMBH (DE) 2000-08-30 CN disclosed
CN-1128753-A Alkyl benzoylguanidines derivatives MERCK PATENT GMBH (DE) 1996-08-14 CN disclosed