SCHEMBL30795856

SCHEMBL30795856

O=C(Cc1ccc(C(F)(F)F)cc1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ AKR1B1 P15121 5/20 0.47
▸ CNR2 P34972 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ CXCR3 P49682 1/20 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
SCHEMBL1786577 1.00 LMNA (0.52) LMNAPOLBAKR1B1CNR2SIGMAR1
SCHEMBL30814174 0.93 MEN1 (0.45) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL1789193 0.93 MEN1 (0.45) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL30795173 0.90 KDM4E (0.49) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL1788526 0.90 KDM4E (0.49) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL30796432 0.87 PTGS2 (0.43) LMNAPOLBKDM4ECXCR3
SCHEMBL30796164 0.87 CACNA1H (0.48) LMNAPOLBCNR2
SCHEMBL1786193 0.87 PTGS2 (0.43) LMNAPOLBKDM4ECXCR3
SCHEMBL1789625 0.87 CACNA1H (0.48) LMNAPOLBCNR2
SCHEMBL1788705 0.85 RIOK2 (0.47) LMNAPOLBAKR1B1SIGMAR1KDM4E

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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