SCHEMBL30796432

SCHEMBL30796432

CS(=O)(=O)c1ccc(CC(=O)Nn2nc(C(F)(F)F)c3ccccc3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.43
▸ MAPK8 P45983 3/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ CXCR3 P49682 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RORC P51449 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1786193 1.00 PTGS2 (0.43) PTGS2MAPK8MAPK9MAPK10CXCR3
SCHEMBL30814174 0.89 MEN1 (0.45) LMNAPOLBRXFP1MEN1ALDH1A1
SCHEMBL1789193 0.89 MEN1 (0.45) LMNAPOLBRXFP1MEN1ALDH1A1
SCHEMBL30795856 0.87 LMNA (0.52) CXCR3LMNAPOLBKDM4E
SCHEMBL1786577 0.87 LMNA (0.52) CXCR3LMNAPOLBKDM4E
SCHEMBL30795173 0.86 KDM4E (0.49) LMNAPOLBMEN1ALDH1A1KMT2A
SCHEMBL1788526 0.86 KDM4E (0.49) LMNAPOLBMEN1ALDH1A1KMT2A
SCHEMBL1789625 0.85 CACNA1H (0.48) LMNAPOLBALDH1A1KMT2A
SCHEMBL30796164 0.85 CACNA1H (0.48) LMNAPOLBALDH1A1KMT2A
SCHEMBL13720767 0.83 MAPK8 (0.42) MAPK8MAPK9MAPK10LMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 — — EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
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