SCHEMBL31472349

SCHEMBL31472349

CS(=O)(=O)c1ccc(Cl)c(C2COCCCN2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PTGS2 P35354 8/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HCRTR2 O43614 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 2/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21491112 1.00 LMNA (0.40) LMNAPTGS2MEN1KMT2ASLC6A2
SCHEMBL29456428 0.90 LMNA (0.37) LMNAPTGS2MEN1KMT2ASLC6A2
SCHEMBL21491209 0.90 LMNA (0.37) LMNAPTGS2MEN1KMT2ASLC6A2
SCHEMBL29849134 0.90 LMNA (0.37) LMNAPTGS2MEN1KMT2ASLC6A2
SCHEMBL23036784 0.87 SLC6A4 (0.41) LMNAKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL21491442 0.82 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL29456672 0.82 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL24654621 0.82 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL31472308 0.82 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL21491170 0.82 GAA (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1

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