SCHEMBL23929216

SCHEMBL23929216

CC(Cc1cccc(O)c1)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 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
SCHEMBL30211116 1.00 KDM4E (0.42) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL23929213 1.00 KDM4E (0.42) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL19061658 0.86 HIF1A (0.48) MAPK1CYP3A4ALOX15HIF1ARAB9A
SCHEMBL23929176 0.86 HIF1A (0.48) MAPK1CYP3A4ALOX15HIF1ARAB9A
SCHEMBL23929159 0.85 KMT2A (0.43) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL19061898 0.85 KDM4E (0.42) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL30211141 0.85 KMT2A (0.43) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL23929162 0.85 KMT2A (0.43) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL19061633 0.85 NLRP3 (0.49) KDM4EMAPK1PKMCYP1A2CYP3A4
SCHEMBL19061767 0.85 NLRP3 (0.49) KDM4EMAPK1PKMCYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667275-B Boron-containing compounds and uses thereof 南京再明医药有限公司 2024-02-23 CN disclosed
CN-115667275-A Boron-containing compounds and their use 先声药业有限公司 2023-01-31 CN disclosed
WO-2021213358-A1 BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2021-10-28 WO disclosed