SCHEMBL31444747

SCHEMBL31444747

COc1ccc(COc2cc3ccc(Br)cc3cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
PDE2A O00408 1/20 0.47
CCR5 P51681 1/20 0.43
LRRK2 Q5S007 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
APP P05067 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
IDO1 P14902 1/20 0.41
THRB P10828 1/20 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
SCHEMBL31444692 0.83 PDE2A (0.47) MAOBPDE2ANPC1RAB9ACASP3
SCHEMBL30659808 0.81 MAOB (0.50) MAOBPDE2ACCR5NPC1RAB9A
SCHEMBL3415984 0.81 MAOB (0.50) MAOBPDE2ACCR5NPC1RAB9A
SCHEMBL2671991 0.80 THRB (0.44) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL31381515 0.80 MAOB (0.49) MAOBPDE2ACCR5LRRK2NPC1
SCHEMBL15476351 0.78 GABRG2 (0.49) MAOBCCR5LRRK2RAB9A
SCHEMBL25216330 0.77 PDGFRB (0.53) MAOBCCR5APP
SCHEMBL31052346 0.77 PDGFRB (0.53) MAOBCCR5APP
SCHEMBL31444738 0.76 MAOB (0.44) MAOBPDE2ACCR5LRRK2NPC1
SCHEMBL16332094 0.75 APP (0.47) MAOBPDE2ANPC1RAB9AAPP

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed