SCHEMBL25980674

SCHEMBL25980674

COc1ccc(CN(CC(Oc2c(Br)cncc2Br)C(F)(F)F)C(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
POLB P06746 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CETP P11597 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TSHR P16473 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SSTR4 P31391 1/20 0.33
ABCB1 P08183 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H3 Q13133 1/20 0.32

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
SCHEMBL25345233 0.89 POLB (0.43) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL25980741 0.89 GAA (0.38) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL25980671 0.82 GAA (0.40) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL30479647 0.79 ALDH1A1 (0.42) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL25980663 0.79 ALDH1A1 (0.42) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL25341773 0.79 GAA (0.40) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL192119 0.75 ALDH1A1 (0.45) GAAPOLBALDH1A1KDM4ETDP1
SCHEMBL25980680 0.75 APLNR (0.50) ALDH1A1LMNATSHRKDM4C
Hydrochloric Acid SCHEMBL25342537 0.74 APLNR (0.49) ALDH1A1LMNATSHRKDM4C
SCHEMBL6418683 0.71 SSTR4 (0.39) ALDH1A1MEN1KMT2ACETPLMNA

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