SCHEMBL30795262

SCHEMBL30795262

Cc1c(C(=O)NCCCC(C)(C)C)c(=O)n(C)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
EGLN1 Q9GZT9 2/20 0.40
HIF1A Q16665 6/20 0.39
TP53BP1 Q12888 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL29053 1.00 RAF1 (0.43) RAF1BRAFL3MBTL1KDM4EEGLN1
SCHEMBL29733 0.87 PTGER4 (0.40) RAF1BRAFKDM4EEGLN1TP53BP1
SCHEMBL30795320 0.87 PTGER4 (0.40) RAF1BRAFKDM4EEGLN1TP53BP1
SCHEMBL30795584 0.80 MEN1 (0.57) L3MBTL1HIF1AMAPT
SCHEMBL714808 0.80 MEN1 (0.57) L3MBTL1HIF1AMAPT
SCHEMBL15473627 0.79 KIF11 (0.49) KDM4EEGLN1KIF11MAPTSRC
SCHEMBL715292 0.77 ROCK2 (0.48) HIF1AMAPT
SCHEMBL30795780 0.77 ROCK2 (0.48) HIF1AMAPT
SCHEMBL713899 0.75 KDM4E (0.52) KDM4EKIF11
SCHEMBL12254433 0.74 EGLN1 (0.58) EGLN1HIF1AEGLN2EGLN3

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