SCHEMBL28217504

SCHEMBL28217504

Nc1cc(C(=O)O)c(N)c(N)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 5/20 0.44
THRB P10828 4/20 0.44
USP2 O75604 2/20 0.44
PKM P14618 2/20 0.44
MCL1 Q07820 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GFER P55789 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 5/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
CYP3A4 P08684 4/20 0.41
IDO1 P14902 1/20 0.41
GLA P06280 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
SCHEMBL29193610 0.82 KDM4E (0.46) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL2688381 0.81 KDM4E (0.48) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL1709593 0.78 KDM4E (0.50) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL7261623 0.77 KDM4E (0.43) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL28198037 0.77 KDM4E (0.55) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL26963231 0.76 MMP2 (0.45) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL32664881 0.76 KDM4E (0.42) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL30626460 0.76 MMP2 (0.45) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL9301812 0.75 KMT2A (0.47) KDM4EKMT2AMEN1MAPTTHRB
SCHEMBL987442 0.75 IDO1 (0.62) KDM4EKMT2AMEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117079978-A Electrode foil, preparation method thereof and aluminum electrolytic capacitor 东莞东阳光科研发有限公司 2023-11-17 CN claimed
CN-108070089-B Preparation method of zirconium-based metal organic framework material rich in zirconium ions 中国科学院大连化学物理研究所 2021-03-19 CN claimed
CN-108070089-A A kind of preparation method of the zirconium-based metallic organic framework material rich in zirconium ion 中国科学院大连化学物理研究所 2018-05-25 CN claimed
CN-118440336-A Titanium-containing metal organic framework material and preparation method and application thereof 澳门大学 2024-08-06 CN disclosed
CN-117079978-A Electrode foil, preparation method thereof and aluminum electrolytic capacitor 东莞东阳光科研发有限公司 2023-11-17 CN disclosed
CN-108070089-B Preparation method of zirconium-based metal organic framework material rich in zirconium ions 中国科学院大连化学物理研究所 2021-03-19 CN disclosed
CN-108070089-A A kind of preparation method of the zirconium-based metallic organic framework material rich in zirconium ion 中国科学院大连化学物理研究所 2018-05-25 CN disclosed