SCHEMBL31461653

SCHEMBL31461653

CC(=O)c1c(N)cccc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
PREP P48147 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
MMP2 P08253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 1/20 0.33
CFTR P13569 1/20 0.33
BRD4 O60885 1/20 0.33
ENPP2 Q13822 2/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL9841111 0.83 THRB (0.54) THRBKDM4EHSD17B10LMNAMAPT
Hydrochloric Acid SCHEMBL7967074 0.81 THRB (0.52) THRBKDM4EHSD17B10LMNAMAPT
SCHEMBL14334370 0.78 AKT1 (0.37) THRBPREPKDM4EHSD17B10MAPT
SCHEMBL1189236 0.78 THRB (0.45) THRBKDM4EHSD17B10LMNAMAPT
SCHEMBL3784961 0.78 THRB (0.45) THRBKDM4EHSD17B10LMNATSHR
SCHEMBL4644479 0.77 GRM6 (0.43) THRBPREPKDM4EHSD17B10LMNA
SCHEMBL4058388 0.75 CD44 (0.48) THRBKDM4EHSD17B10LMNAMAPT
SCHEMBL2636943 0.75 THRB (0.71) THRBMAPTCYP3A4TSHRMMP2
SCHEMBL30590428 0.75 CD44 (0.48) THRBKDM4EHSD17B10LMNAMAPT
SCHEMBL3502815 0.75 THRB (0.46) THRBKDM4EHSD17B10LMNAMAPT

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed