SCHEMBL26464666

SCHEMBL26464666

COc1ccc(-c2c[nH]c(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
ACHE P22303 2/20 0.46
PDGFRB P09619 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MPI P34949 1/20 0.44
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ACP1 P24666 1/20 0.42
NPM1 P06748 1/20 0.42
ALK Q9UM73 1/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL11771726 0.92 KDM4E (0.50) PDGFRBKDM4EALDH1A1TDP1GAA
SCHEMBL7142078 0.86 NPC1 (0.51) KDM4EALDH1A1TDP1HPGDRAB9A
SCHEMBL650259 0.86 NPC1 (0.51) KDM4EALDH1A1TDP1HPGDRAB9A
SCHEMBL8110189 0.85 ADORA2A (0.49) MCL1ACHEPDGFRBKDM4EALDH1A1
SCHEMBL26464174 0.84 PDGFRB (0.47) PDGFRBKDM4EALDH1A1TDP1GAA
SCHEMBL7135272 0.84 PDGFRB (0.47) PDGFRBKDM4EALDH1A1TDP1GAA
SCHEMBL27517986 0.84 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDMPI
Hydrochloric Acid SCHEMBL7140665 0.83 MAPK13 (0.48) PDGFRBKDM4EALDH1A1TDP1GAA
SCHEMBL17279819 0.81 NPC1 (0.50) PDGFRBKDM4EALDH1A1HPGDRAB9A
SCHEMBL26464281 0.81 TRPV1 (0.41) KDM4EALDH1A1GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed