SCHEMBL125654

SCHEMBL125654

O=C(O)c1ccc2cccnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
LMNA P02545 4/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
MGAM O43451 1/20 0.53
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
NAPRT Q6XQN6 2/20 0.48
P4HTM Q9NXG6 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX15 P16050 3/20 0.48
TSHR P16473 3/20 0.48
ACMSD Q8TDX5 1/20 0.48
MMP2 P08253 3/20 0.46
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL30505600 1.00 KDM4E (1.00) KDM4ELMNAKMT2AMEN1MGAM
SCHEMBL30381290 1.00 KDM4E (1.00) KDM4ELMNAKMT2AMEN1MGAM
Hydrochloric Acid SCHEMBL5266713 0.98 KDM4E (0.96) KDM4ELMNAKMT2AMEN1MGAM
Fluoride SCHEMBL28821496 0.98 KDM4E (0.96) KDM4ELMNAKMT2AMEN1MGAM
SCHEMBL28821633 0.95 KDM4E (0.90) KDM4ELMNAKMT2AMEN1MGAM
Methoxymethane SCHEMBL27938732 0.93 KDM4E (0.87) KDM4ELMNAKMT2AMEN1MGAM
SCHEMBL28149209 0.89 KDM4E (0.79) KDM4ELMNAKMT2AMEN1MGAM
Benzamide SCHEMBL27821964 0.87 KMT2A (0.77) KDM4ELMNAKMT2AMEN1MGAM
SCHEMBL6529041 0.86 KDM4E (0.76) KDM4ELMNAKMT2AMEN1MGAM
SCHEMBL2887500 0.85 KDM4E (0.73) KDM4ELMNAKMT2AMEN1MGAM

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 620 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-112341334-A Terpene ester compound, preparation method thereof and application thereof in pest control of agricultural and forestry crops 石河子大学 2021-02-09 CN claimed
CN-107820496-B Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prevention of hepatitis B virus infections 豪夫迈·罗氏有限公司 2020-11-03 CN claimed
CN-102395273-B Thienopyridine derivatives for the treatment and prevention of dengue virus infection SIGA TECHNOLOGIES INC 2015-05-20 CN claimed
CN-104203945-A 1, 4-dihydro-naphthyridine derivatives, pharmaceutical compositions and uses thereof JIANGSU SIMOVAY PHARMACEUTICAL CO LTD 2014-12-10 CN claimed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 EP claimed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
CN-101903339-B Substituted N-phenyl-bipyrrolidine carboxamides and their therapeutic use SANOFI AVENTIS 2012-06-27 CN claimed
CN-102395273-A Thienopyridine derivatives for the treatment and prevention of dengue virus infection SIGA TECHNOLOGIES INC 2012-03-28 CN claimed
CN-101563328-B substituted heteroaryl Pyridopyrimidinone derivatives SANOFI AVENTIS 2012-03-14 CN claimed
WO-1994027627-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-12-08 WO claimed
EP-0621788-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-02 EP claimed
WO-1993013789-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO claimed
CN-1074218-A Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1993-07-14 CN claimed
EP-0300735-B1 ANTIMICROBIAL PHARMACEUTICAL COMPOSITION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-10-14 EP claimed
US-4968507-A SUSTAINED RELEASE OF DRUG MERCK & CO., INC. (US) 1990-11-06 US claimed
US-4904647-A Antimicrobial pharmaceutical composition CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) 1990-02-27 US claimed
US-4851228-A Multiparticulate controlled porosity osmotic MERCK & CO., INC. (US) 1989-07-25 US claimed
CN-1031797-A PHARMACEUTICAL COMPOSITION CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-03-22 CN claimed
EP-0300735-A1 Antimicrobial pharmaceutical composition CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-01-25 EP claimed