SCHEMBL31472453

SCHEMBL31472453

Cc1cc(S(C)(=O)=O)ccc1C1CCCCCN1C=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.38
PTGS2 P35354 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A9 P48067 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 1/20 0.34
RORC P51449 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL21491130 1.00 CFB (0.38) CFBPTGS2MEN1KMT2ACHRM2
SCHEMBL29456508 1.00 CFB (0.38) CFBPTGS2MEN1KMT2ACHRM2
SCHEMBL21491186 0.84 TSHR (0.41) ALDH1A1
SCHEMBL29849328 0.84 TSHR (0.41) ALDH1A1
SCHEMBL23036825 0.84 TSHR (0.41) ALDH1A1
SCHEMBL3715027 0.75 OPRM1 (0.39) MEN1KMT2AALDH1A1TDP1
SCHEMBL21516196 0.72 CRHBP (0.43) CFBPTGS2MEN1KMT2AALDH1A1
SCHEMBL29456476 0.72 CRHBP (0.43) CFBPTGS2MEN1KMT2AALDH1A1
SCHEMBL23036742 0.72 CRHBP (0.43) CFBPTGS2MEN1KMT2AALDH1A1
SCHEMBL21491399 0.70 ALDH1A1 (0.37) MEN1KMT2AALDH1A1

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
CN-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN disclosed