SCHEMBL11574641

SCHEMBL11574641

Nc1ccc([S+]([O-])c2ccc(F)cc2)cc1NC=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.33
HDAC1 Q13547 7/20 0.32
HDAC3 O15379 3/20 0.32
ALDH1A1 P00352 1/20 0.31
FYN P06241 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL11577014 0.87 ALDH1A1 (0.35) HDAC2HDAC1HDAC3ALDH1A1
SCHEMBL10507644 0.76 ALDH1A1 (0.40) ALDH1A1FFAR4
SCHEMBL11578071 0.75 HTR6 (0.44) ALDH1A1FFAR4
SCHEMBL11575474 0.75 ALDH1A1 (0.39) HDAC1ALDH1A1
SCHEMBL11577072 0.73 MAPT (0.39) HDAC2HDAC1HDAC3ALDH1A1
SCHEMBL11655578 0.70 ALDH1A1 (0.46) HDAC2HDAC1HDAC3ALDH1A1
SCHEMBL10451338 0.70 TDP1 (0.50) ALDH1A1FFAR4
SCHEMBL776183 0.69 CA1 (0.38)
SCHEMBL11197229 0.68 GAA (0.39) ALDH1A1FYN
SCHEMBL24405304 0.68 ALDH1A1 (0.36) HDAC2HDAC1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4127670-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed