SCHEMBL31599666

SCHEMBL31599666

CS(=O)(=O)c1ccnc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ G6PD P11413 1/20 0.36
▸ IDE P14735 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ MET P08581 1/20 0.36
▸ AR P10275 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL1403910 1.00 PTGS1 (0.39) PTGS1PTGS2ROCK1SMN1; SMN2G6PD
SCHEMBL24669127 0.79 CA2 (0.48) ROCK1LMNAHTR6
SCHEMBL28157668 0.79 ALDH1A1 (0.39) SMN1; SMN2ARLMNAHTR6
SCHEMBL17694102 0.79 HRH4 (0.38) SMN1; SMN2HTR6
SCHEMBL10920036 0.77 ROCK1 (0.40) PTGS1PTGS2ROCK1SMN1; SMN2G6PD
SCHEMBL13801171 0.77 UHRF1 (0.48) PTGS2ROCK1SMN1; SMN2G6PDIDE
SCHEMBL5700299 0.76 SMN1; SMN2 (0.50) ROCK1SMN1; SMN2METLMNA
SCHEMBL30700822 0.75 PTGS2 (0.46) PTGS1PTGS2ROCK1LMNA
SCHEMBL16289399 0.75 ROCK1 (0.39) PTGS1PTGS2ROCK1SMN1; SMN2G6PD
SCHEMBL6883165 0.75 PTGS2 (0.46) PTGS1PTGS2ROCK1LMNA

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
WO-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 — — WO disclosed
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