SCHEMBL30794425

SCHEMBL30794425

COc1cccc(CC(=O)Nn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.52
▸ THRB P10828 1/20 0.52
▸ TP53 P04637 4/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 1/20 0.46

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
SCHEMBL1787303 1.00 KDM4E (0.54) KDM4ERXFP1THRBTP53ALDH1A1
SCHEMBL30794463 0.92 RXFP1 (0.54) KDM4ERXFP1THRBTP53ALDH1A1
SCHEMBL1789325 0.92 RXFP1 (0.54) KDM4ERXFP1THRBTP53ALDH1A1
SCHEMBL1786711 0.89 RXFP1 (0.59) KDM4ERXFP1THRBTP53ALDH1A1
SCHEMBL30795948 0.89 RXFP1 (0.59) KDM4ERXFP1THRBTP53ALDH1A1
SCHEMBL1791439 0.88 MAPT (0.49) RXFP1TP53ALDH1A1MAPTMEN1
SCHEMBL30796105 0.88 MAPT (0.49) RXFP1TP53ALDH1A1MAPTMEN1
SCHEMBL1784447 0.88 TP53 (0.54) KDM4ERXFP1THRBTP53MAPT
SCHEMBL30794501 0.88 TP53 (0.54) KDM4ERXFP1THRBTP53MAPT
SCHEMBL1789483 0.87 TP53 (0.59) RXFP1TP53ALDH1A1MAPTMEN1

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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