SCHEMBL30794386

SCHEMBL30794386

Cc1cc(C)c2c(c1)C(c1ccccc1)N(C(=O)CCC(=O)Nc1ccccc1Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.45
▸ KIF11 P52732 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL3242926 1.00 TP53 (0.45) TP53KIF11POLBHTTL3MBTL1
SCHEMBL30795671 0.89 POLB (0.43) TP53POLBHTTKMT2AMEN1
SCHEMBL3242167 0.89 POLB (0.43) TP53POLBHTTKMT2AMEN1
SCHEMBL30795291 0.86 TP53 (0.50) TP53KIF11HTTL3MBTL1KMT2A
SCHEMBL3242955 0.86 TP53 (0.50) TP53KIF11HTTL3MBTL1KMT2A
SCHEMBL27841343 0.83 KIF11 (0.49) TP53KIF11POLBHTTL3MBTL1
SCHEMBL3235177 0.82 LMNA (0.45) TP53KIF11HTTL3MBTL1NPC1
SCHEMBL30795885 0.82 LMNA (0.45) TP53KIF11HTTL3MBTL1NPC1
SCHEMBL30795430 0.82 KIF11 (0.44) TP53KIF11POLBHTTL3MBTL1
SCHEMBL30795338 0.82 LHCGR (0.45) TP53KIF11HTTKMT2AMEN1

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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