SCHEMBL31237366

SCHEMBL31237366

COc1ccc(-c2[nH]nnc2-c2cc(OC)c3c(c2)OCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HPGD P15428 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
NPSR1 Q6W5P4 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.43
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL3304242 0.90 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL410842 0.89 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL412726 0.88 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL410275 0.88 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL409008 0.87 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL410274 0.87 MEN1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL13041153 0.87 MEN1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3303706 0.87 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL409682 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL411535 0.86 MEN1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E

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-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed