SCHEMBL30795129

SCHEMBL30795129

CC(C)(C)c1nn(NC(=O)Cc2ccc(Cl)cc2)c(=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 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
SCHEMBL1785786 1.00 KDM4E (0.52) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL1788526 0.89 KDM4E (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL30795173 0.89 KDM4E (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL1786714 0.85 KDM4E (0.55) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL30795176 0.85 KDM4E (0.55) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL30824700 0.84 KDM4E (0.54) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL1785726 0.84 KDM4E (0.54) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721637 0.84 KDM4E (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13721003 0.84 KDM4E (0.49) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13720504 0.83 KDM4E (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1

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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