SCHEMBL25980741

SCHEMBL25980741

COc1ccc(CN(CC(Oc2c(Br)cnc(C)c2Br)C(F)(F)F)C(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.33
SSTR4 P31391 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H3 Q13133 1/20 0.32
CETP P11597 2/20 0.31
LMNA P02545 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL25341773 0.90 GAA (0.40) GAAALDH1A1KDM4ETDP1MEN1
SCHEMBL25980674 0.89 GAA (0.39) GAAALDH1A1KDM4ETDP1MEN1
SCHEMBL25345233 0.79 POLB (0.43) GAAALDH1A1KDM4ETDP1MEN1
SCHEMBL30479647 0.76 ALDH1A1 (0.42) GAAALDH1A1KDM4ETDP1MEN1
SCHEMBL25980663 0.76 ALDH1A1 (0.42) GAAALDH1A1KDM4ETDP1MEN1
SCHEMBL25980752 0.76 APLNR (0.44) ALDH1A1MEN1KMT2ATSHRNPSR1
Hydrochloric Acid SCHEMBL30479625 0.75 APLNR (0.44) ALDH1A1MEN1KMT2ATSHRNPSR1
Hydrochloric Acid SCHEMBL25342899 0.75 APLNR (0.44) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL25980671 0.72 GAA (0.40) GAAALDH1A1KDM4ETDP1MEN1
SCHEMBL192119 0.72 ALDH1A1 (0.45) GAAALDH1A1KDM4ETDP1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472734-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X Discovery Limited (GB) 2024-12-11 EP disclosed
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed