SCHEMBL28535910

SCHEMBL28535910

Nc1cc(C(=O)[O-])ccc1C(=O)[O-].[Ni+2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
CA2 P00918 13/20 0.40
CA1 P00915 12/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CA4 P22748 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL29770885 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL29067045 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL30792281 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL25179970 0.96 KDM4E (0.50) MAPTALDH1A1KDM4EGAAGLA
Zinc Ion SCHEMBL12486610 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL23357751 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL17262711 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
Potassium Ion SCHEMBL8214226 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL3893740 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA
SCHEMBL28861658 0.96 MAPT (0.47) MAPTALDH1A1KDM4EGAAGLA

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-113522287-B Carbon-supported metal catalyst with hierarchical pore structure, preparation method and application thereof 中科合成油技术股份有限公司 2023-09-12 CN claimed
CN-113522287-A Carbon-supported metal catalyst with hierarchical pore structure, preparation method and application thereof 中科合成油技术有限公司 2021-10-22 CN claimed
CN-108314646-B Method for preparing drug intermediate for urogenital system from high-dispersion bimetal nano material 武汉慧敏科技中心 2021-03-19 CN claimed
CN-119236947-A Modified CuZnAl catalyst, preparation method thereof and application thereof in maleic anhydride hydrogenation 中科合成油技术股份有限公司 2025-01-03 CN disclosed
CN-113522287-B Carbon-supported metal catalyst with hierarchical pore structure, preparation method and application thereof 中科合成油技术股份有限公司 2023-09-12 CN disclosed
CN-113522287-A Carbon-supported metal catalyst with hierarchical pore structure, preparation method and application thereof 中科合成油技术有限公司 2021-10-22 CN disclosed
CN-108314646-B Method for preparing drug intermediate for urogenital system from high-dispersion bimetal nano material 武汉慧敏科技中心 2021-03-19 CN disclosed