SCHEMBL30795166

SCHEMBL30795166

O=S(=O)(Cc1ccccc1Nc1c(Cl)cc(C(F)(F)F)cc1Cl)NCCOCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CAMK2A Q9UQM7 1/20 0.38
PTGS2 P35354 4/20 0.37
TTR P02766 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TBXA2R P21731 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PTGS1 P23219 3/20 0.35
AKR1B10 O60218 1/20 0.35
UGT1A9 O60656 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
MT-CO2 P00403 1/20 0.35
ALB P02768 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
SCHEMBL448838 1.00 CYP2C9 (0.39) CYP2C9LMNACYP1A2CYP2C19CAMK2A
SCHEMBL30794731 0.89 CAMK2A (0.41) CYP2C9LMNACAMK2APTGS2TTR
SCHEMBL448080 0.89 CAMK2A (0.41) CYP2C9LMNACAMK2APTGS2TTR
SCHEMBL450312 0.86 PTGS2 (0.48) CYP2C9LMNAPTGS2TTRKMT2A
SCHEMBL30794451 0.86 PTGS2 (0.48) CYP2C9LMNAPTGS2TTRKMT2A
SCHEMBL30795090 0.86 LMNA (0.40) CYP2C9LMNACYP1A2CYP2C19RECQL
SCHEMBL448018 0.86 LMNA (0.40) CYP2C9LMNACYP1A2CYP2C19RECQL
SCHEMBL451746 0.81 LMNA (0.41) CYP2C9LMNACYP1A2CYP2C19KMT2A
SCHEMBL438017 0.79 CA12 (0.48) CYP2C9LMNAPTGS2TTRKMT2A
SCHEMBL451502 0.79 CLCN2 (0.54) CYP2C9LMNACYP1A2PTGS2TTR

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