SCHEMBL30795707

SCHEMBL30795707

CS(=O)(=O)Nc1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.66
ERBB2 P04626 2/20 0.51
KMT2A Q03164 1/20 0.51
EPHX2 P34913 1/20 0.51
PPARG P37231 1/20 0.51
BRPF1 P55201 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTR6 P50406 3/20 0.47

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
SCHEMBL2769220 1.00 NR1I2 (0.66) NR1I2ERBB2KMT2AEPHX2PPARG
SCHEMBL6085901 0.88 NR1I2 (0.56) NR1I2EPHX2PPARGBRPF1HDAC3
SCHEMBL30794841 0.87 EPHX2 (0.55) NR1I2EPHX2PPARGBRPF1HDAC3
SCHEMBL2766907 0.87 EPHX2 (0.55) NR1I2EPHX2PPARGBRPF1HDAC3
SCHEMBL6085060 0.84 KCNQ3 (0.64) NR1I2EPHX2PPARGBRPF1HTR6
SCHEMBL19476152 0.82 NPC1 (0.54) NR1I2ERBB2HDAC3HDAC4HDAC1
SCHEMBL20760414 0.79 ERBB2 (0.56) NR1I2ERBB2HDAC3HDAC4HDAC1
SCHEMBL6085966 0.79 KCNQ3 (0.55) NR1I2ERBB2EPHX2HDAC3HDAC4
SCHEMBL3195444 0.78 NR1I2 (0.63) NR1I2KMT2AEPHX2BRPF1HTR6
SCHEMBL24071346 0.78 HDAC8 (0.58) NR1I2EPHX2HDAC3HDAC4HDAC1

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 4 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-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed