SCHEMBL31472308

SCHEMBL31472308

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.36
PNMT P11086 3/20 0.34
SLC6A9 P48067 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
DPP4 P27487 2/20 0.33
PRKDC P78527 1/20 0.33
PTGS1 P23219 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
HTR6 P50406 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
SCHEMBL24654621 1.00 PTGS2 (0.36) PTGS2PNMTSLC6A9PIM1PIM2
SCHEMBL29456672 1.00 PTGS2 (0.36) PTGS2PNMTSLC6A9PIM1PIM2
SCHEMBL21491442 1.00 PTGS2 (0.36) PTGS2PNMTSLC6A9PIM1PIM2
SCHEMBL21491209 0.85 LMNA (0.37) PTGS2PNMTPTGS1
SCHEMBL29849134 0.85 LMNA (0.37) PTGS2PNMTPTGS1
SCHEMBL29456428 0.85 LMNA (0.37) PTGS2PNMTPTGS1
SCHEMBL21491112 0.82 LMNA (0.40) PTGS2PTGS1
SCHEMBL31472349 0.82 LMNA (0.40) PTGS2PTGS1
SCHEMBL21491474 0.71 RORC (0.36) PTGS2SLC6A9DPP4PTGS1ATR
SCHEMBL31472445 0.71 RORC (0.36) PTGS2SLC6A9DPP4PTGS1ATR

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