SCHEMBL30795142

SCHEMBL30795142

Cc1c(C(=O)NCc2cccc(F)c2)c(=O)n(C)c2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ROCK2 O75116 2/20 0.50
HIF1A Q16665 8/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
S1PR3 Q99500 1/20 0.45
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL29744 1.00 MEN1 (0.51) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL28622 0.92 KMT2A (0.54) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL30795447 0.92 KMT2A (0.54) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL30795231 0.89 KMT2A (0.61) MEN1KMT2AROCK2NPC1RAB9A
SCHEMBL713993 0.89 KMT2A (0.61) MEN1KMT2AROCK2NPC1RAB9A
SCHEMBL30794517 0.88 EGLN1 (0.51) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL29874 0.88 EGLN1 (0.51) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL30794538 0.88 EGLN1 (0.51) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL715292 0.86 ROCK2 (0.48) MEN1KMT2AROCK2HIF1ANPC1
SCHEMBL30795780 0.86 ROCK2 (0.48) MEN1KMT2AROCK2HIF1ANPC1

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