SCHEMBL30796028

SCHEMBL30796028

CCC(C)(C)C(=O)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ AKR1B1 P15121 2/20 0.35

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
SCHEMBL1788531 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL30795970 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1789094 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1787049 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL30796204 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL30796158 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2AALOX15MAPT
SCHEMBL1787790 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2AALOX15MAPT
SCHEMBL30814174 0.78 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1789193 0.78 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1789475 0.77 POLB (0.46) ALDH1A1MEN1KMT2AMAPTPOLB

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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