SCHEMBL31472154

SCHEMBL31472154

O=C1Nc2ccc(Br)cc2C12CC(F)(F)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALPL P05186 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL30954711 0.86 PGR (0.47) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL4296570 0.83 PGR (0.53) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL24895277 0.81 TDP2 (0.46) ALDH1A1MAPTKDM4EAKR1B1CMA1
SCHEMBL29522710 0.81 PGR (0.38) KMT2AMAPTCYP2C19PGRPDE4A
SCHEMBL1223242 0.80 PGR (0.55) POLBCYP3A4CYP2C19PGRPDE4A
SCHEMBL5499005 0.80 PGR (0.55) ALDH1A1LMNAPKMMAPTKDM4E
SCHEMBL23113788 0.79 LMNA (0.46) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL61843 0.79 PGR (0.56) POLBCYP3A4CYP2C19PGRPDE4A
SCHEMBL6835467 0.78 IDO1 (0.56) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL2214049 0.77 BACE1 (0.50) ALDH1A1MEN1KMT2ALMNAPKM

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-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 WO disclosed