SCHEMBL25980671

SCHEMBL25980671

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
DHFR P00374 1/20 0.36
PYCR1 P32322 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APLNR P35414 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34

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 0.85 POLB (0.43) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL25980674 0.82 GAA (0.39) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL25980680 0.81 APLNR (0.50) ALDH1A1LMNAAPLNRHTR2AHTR2C
Hydrochloric Acid SCHEMBL25342537 0.80 APLNR (0.49) ALDH1A1LMNAAPLNRHTR2AHTR2C
SCHEMBL25341773 0.74 GAA (0.40) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL25980741 0.72 GAA (0.38) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL25980752 0.71 APLNR (0.44) ALDH1A1KMT2ALMNAMEN1APLNR
Hydrochloric Acid SCHEMBL25342899 0.70 APLNR (0.44) ALDH1A1KMT2ALMNAMEN1APLNR
Hydrochloric Acid SCHEMBL30479625 0.70 APLNR (0.44) ALDH1A1KMT2ALMNAMEN1APLNR
SCHEMBL21180517 0.67 ALDH1A1 (0.45) GAAALDH1A1KDM4ETDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed