SCHEMBL30794838

SCHEMBL30794838

C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(-c2ccccn2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
CYP19A1 P11511 1/20 0.53
CTSL P07711 1/20 0.48
CTSK P43235 1/20 0.48
GSK3B P49841 1/20 0.45
HPGDS O60760 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6647302 1.00 TDP1 (0.63) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6625980 1.00 TDP1 (0.63) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6647292 1.00 TDP1 (0.63) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6647298 1.00 TDP1 (0.63) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6859637 0.88 TDP1 (0.59) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6859634 0.88 TDP1 (0.59) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6859640 0.88 TDP1 (0.59) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6624883 0.85 TDP1 (0.44) TDP1LMNACTSLCTSKHPGDS
SCHEMBL6672823 0.85 TDP1 (0.44) TDP1LMNACTSLCTSKHPGDS
SCHEMBL6672826 0.85 TDP1 (0.44) TDP1LMNACTSLCTSKHPGDS

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