SCHEMBL30834236

SCHEMBL30834236

COc1ccc(COc2cc(B3OC(C)(C)C(C)(C)O3)cc3cccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
CSF1R P07333 1/20 0.39
SNCA P37840 1/20 0.39
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL27201550 1.00 NPC1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20392685 0.84 DYRK1A (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30877088 0.82 LPL (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9985572 0.80 MEN1 (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL25179630 0.78 DGAT1 (0.46) NPC1RAB9ADGAT1CSF1RSNCA
SCHEMBL29362049 0.78 DGAT1 (0.46) NPC1RAB9ADGAT1CSF1RSNCA
SCHEMBL20521768 0.77 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL29834895 0.77 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1516719 0.77 EGFR (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL189658 0.77 DGAT1 (0.40) NPC1RAB9AMEN1KMT2ADGAT1

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-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO disclosed