SCHEMBL27367149

SCHEMBL27367149

C=NC(=O)c1ccc(C2CCCC2C)c(S(C)(=O)=O)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 3/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.30
HTT P42858 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
SCHEMBL27366164 0.88 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2PKMHTT
SCHEMBL8529506 0.87 SLC9A1 (0.37)
SCHEMBL27350098 0.87 SLC9A1 (0.30) TAS1R3TAS1R1TAS1R2
SCHEMBL27398634 0.85 SLC9A1 (0.31)
SCHEMBL27351397 0.85 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL27439068 0.84 MEN1 (0.31)
SCHEMBL8583345 0.83 ALDH1A1 (0.36) TAS1R3TAS1R1TAS1R2LMNAHTT
SCHEMBL27447737 0.81 SCN9A (0.35) TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL8530995 0.75 SLC9A1 (0.40)
SCHEMBL8531065 0.74 SLC9A1 (0.41)

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