SCHEMBL31152002

SCHEMBL31152002

[2H]C([2H])([2H])Oc1cc(C(=O)OC)c([N+](=O)[O-])cc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.40
PKM P14618 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
SCHEMBL15972175 0.92 POLB (0.51) POLBMEN1MAPTKMT2AHTT
SCHEMBL8094915 0.89 POLB (0.52) POLBMEN1MAPTKMT2AHTT
SCHEMBL3663221 0.87 POLB (0.54) POLBMEN1MAPTKMT2AHTT
SCHEMBL31151974 0.85 POLB (0.43) POLBMEN1MAPTKMT2AHTT
SCHEMBL31697373 0.82 MAPT (0.43) POLBMEN1MAPTKMT2AHTT
SCHEMBL24616176 0.80 POLB (0.41) POLBMEN1MAPTKMT2AHTT
SCHEMBL1953578 0.79 POLB (0.61) POLBMEN1MAPTKMT2AHTT
SCHEMBL27191744 0.79 PDE5A (0.42) POLBMEN1MAPTKMT2AHTT
SCHEMBL22324330 0.79 LCK (0.56) POLBMEN1MAPTKMT2AHTT
SCHEMBL25487018 0.79 PDGFRB (0.51) POLBMEN1MAPTKMT2ATDP1

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-2026098315-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2026-05-15 WO disclosed
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed