SCHEMBL30795462

SCHEMBL30795462

O=C(CCc1ccccc1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MLYCD O95822 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL1789475 1.00 POLB (0.46) POLBGAAMEN1KMT2AHDAC6
SCHEMBL30814174 0.89 MEN1 (0.45) POLBMEN1KMT2AMAPTHTT
SCHEMBL1789193 0.89 MEN1 (0.45) POLBMEN1KMT2AMAPTHTT
SCHEMBL1788531 0.82 MEN1 (0.42) POLBGAAMEN1KMT2AMAPT
SCHEMBL1786577 0.82 LMNA (0.52) POLBHDAC6HDAC8HDAC1
SCHEMBL30795856 0.82 LMNA (0.52) POLBHDAC6HDAC8HDAC1
SCHEMBL1787790 0.81 MEN1 (0.41) POLBMEN1KMT2AMAPTTSHR
SCHEMBL30796158 0.81 MEN1 (0.41) POLBMEN1KMT2AMAPTTSHR
SCHEMBL30795173 0.81 KDM4E (0.49) POLBMEN1KMT2AMAPTHTT
SCHEMBL30796507 0.81 TRPV1 (0.42) POLBMEN1KMT2ASMN1; SMN2

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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