SCHEMBL28506643

SCHEMBL28506643

O=C(O)c1ccc2ccc(C(=O)O)nc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
LMNA P02545 3/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
ALOX15 P16050 3/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ACMSD Q8TDX5 1/20 0.56
MGAM O43451 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.45
P4HTM Q9NXG6 2/20 0.43
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM5A P29375 1/20 0.41
JMJD1C Q15652 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5262525 0.82 KDM4E (0.50) KDM4ELMNAKMT2AMEN1ALOX15
SCHEMBL30505600 0.81 KDM4E (1.00) KDM4ELMNAKMT2AMEN1ALOX15
SCHEMBL30381290 0.81 KDM4E (1.00) KDM4ELMNAKMT2AMEN1ALOX15
SCHEMBL125654 0.81 KDM4E (1.00) KDM4ELMNAKMT2AMEN1ALOX15
Fluoride SCHEMBL28821496 0.80 KDM4E (0.96) KDM4ELMNAKMT2AMEN1ALOX15
Hydrochloric Acid SCHEMBL5266713 0.80 KDM4E (0.96) KDM4ELMNAKMT2AMEN1ALOX15
SCHEMBL1088781 0.79 KDM4E (0.67) KDM4ELMNAKMT2AMEN1ALOX15
Hydrochloric Acid SCHEMBL10553456 0.77 KDM4E (0.64) KDM4ELMNAKMT2AMEN1ALOX15
Benzene SCHEMBL27872024 0.77 KDM4E (0.70) KDM4ELMNAKMT2AMEN1ALOX15
SCHEMBL3426743 0.77 KDM4E (0.44) KDM4ELMNAKMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN claimed
CN-112321490-A Auxiliary agent and preparation method thereof 宿迁联盛科技股份有限公司 2021-02-05 CN disclosed
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 CN disclosed
CN-109952302-A Muscarine M1 receptor forward direction allosteric modulators 苏文生命科学有限公司 2019-06-28 CN disclosed