SCHEMBL30794839

SCHEMBL30794839

O=C(CC1(c2ccc(Cl)cc2)CC1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
AKR1B1 P15121 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
P2RX7 Q99572 1/20 0.37
CNR1 P21554 1/20 0.37
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 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
SCHEMBL1790727 1.00 TP53 (0.39) TP53MAPTAKR1B1MEN1KMT2A
SCHEMBL30795413 0.96 TP53 (0.38) TP53MAPTAKR1B1MEN1KMT2A
SCHEMBL1785961 0.96 TP53 (0.38) TP53MAPTAKR1B1MEN1KMT2A
SCHEMBL30795369 0.93 MEN1 (0.39) MAPTAKR1B1MEN1KMT2ATHRB
SCHEMBL1788195 0.93 MEN1 (0.39) MAPTAKR1B1MEN1KMT2ATHRB
SCHEMBL30795173 0.81 KDM4E (0.49) TP53MAPTAKR1B1MEN1KMT2A
SCHEMBL1788526 0.81 KDM4E (0.49) TP53MAPTAKR1B1MEN1KMT2A
SCHEMBL1789626 0.79 LMNA (0.49) TP53MAPTMEN1KMT2ATHRB
SCHEMBL30795459 0.79 LMNA (0.49) TP53MAPTMEN1KMT2ATHRB
SCHEMBL1788618 0.78 KMT2A (0.40) TP53MAPTAKR1B1MEN1KMT2A

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