SCHEMBL30794887

SCHEMBL30794887

Nc1cc(NCc2ccc(Cl)s2)ccc1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC2 Q92769 3/20 0.53
NCOR2 Q9Y618 3/20 0.53
KCNQ2 O43526 2/20 0.51
KCNQ3 O43525 1/20 0.51
KCNQ4 P56696 1/20 0.51
KCNQ5 Q9NR82 1/20 0.51
FFAR1 O14842 1/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39

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
SCHEMBL3090964 1.00 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2KCNQ2
SCHEMBL2069253 0.90 CA12 (0.53) HDAC1HDAC3HDAC2NCOR2FFAR1
SCHEMBL30794410 0.90 CA12 (0.53) HDAC1HDAC3HDAC2NCOR2FFAR1
SCHEMBL30795428 0.88 FFAR1 (0.47) HDAC1HDAC3HDAC2NCOR2KCNQ2
SCHEMBL2070807 0.88 FFAR1 (0.47) HDAC1HDAC3HDAC2NCOR2KCNQ2
SCHEMBL4995871 0.84 LMNA (0.45) HDAC1HDAC3HDAC2NCOR2FFAR1
SCHEMBL2069764 0.81 MEN1 (0.53) FFAR1CA12CA1CA2CA9
SCHEMBL30795966 0.81 MEN1 (0.53) FFAR1CA12CA1CA2CA9
SCHEMBL2070580 0.81 ALDH1A1 (0.44) HDAC1HDAC3HDAC2NCOR2FFAR1
SCHEMBL30794536 0.81 ALDH1A1 (0.44) HDAC1HDAC3HDAC2NCOR2FFAR1

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