SCHEMBL30795447

SCHEMBL30795447

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ROCK2 O75116 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 2/20 0.48
TP53 P04637 2/20 0.46
PDE10A Q9Y233 1/20 0.46
TSHR P16473 1/20 0.45
S1PR3 Q99500 1/20 0.45
CASP3 P42574 1/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
THRB P10828 1/20 0.44
SCD O00767 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28622 1.00 KMT2A (0.54) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30795231 0.92 KMT2A (0.61) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL713993 0.92 KMT2A (0.61) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30794538 0.92 EGLN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL29874 0.92 EGLN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30794517 0.92 EGLN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL29744 0.92 MEN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30795142 0.92 MEN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL715292 0.90 ROCK2 (0.48) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30795780 0.90 ROCK2 (0.48) KMT2AMEN1ROCK2NPC1RAB9A

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