SCHEMBL28023988

SCHEMBL28023988

O=C(O)c1ccc(N2C=CN(c3ccc(C(=O)O)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
CA1 P00915 5/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
APEX1 P27695 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DDAH1 O94760 1/20 0.48
SRD5A2 P31213 1/20 0.46
USP2 O75604 1/20 0.46
CA2 P00918 4/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44

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
SCHEMBL17737082 0.73 KDM4E (0.71) TSHRTP53CA1CA12CA9
SCHEMBL23610369 0.73 KDM4E (0.71) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL28861858 0.72 TSHR (0.86) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL175823 0.72 TSHR (1.00) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL1655 0.72 TSHR (1.00) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL5053781 0.72 TSHR (1.00) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL2511919 0.72 TSHR (1.00) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL28261396 0.70 TSHR (0.80) TSHRTP53CA1CA12CA9
Terephthalic Acid SCHEMBL448283 0.70 TSHR (0.80) TSHRTP53CA1CA12CA9
SCHEMBL22442320 0.70 KDM4E (0.67) TSHRTP53CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115206688-A Preparation method and application of nano metal phosphide 中国石油大学(华东) 2022-10-18 CN claimed
CN-114507358-A Method for preparing two-dimensional metal organic framework nano material by taking graphene as template 中国石油大学(华东) 2022-05-17 CN claimed
CN-107474060-B It is a kind of with the metal-organic framework materials and its preparation method and application for being selectively adsorbing and separating anionic dye performance 南开大学 2019-05-17 CN claimed
CN-107474060-A It is a kind of have be selectively adsorbing and separating metal-organic framework material of anionic dye performance and its preparation method and application 南开大学 2017-12-15 CN claimed
CN-115206688-A Preparation method and application of nano metal phosphide 中国石油大学(华东) 2022-10-18 CN disclosed
CN-114507358-A Method for preparing two-dimensional metal organic framework nano material by taking graphene as template 中国石油大学(华东) 2022-05-17 CN disclosed
CN-107474060-B It is a kind of with the metal-organic framework materials and its preparation method and application for being selectively adsorbing and separating anionic dye performance 南开大学 2019-05-17 CN disclosed
CN-107474060-B It is a kind of with the metal-organic framework materials and its preparation method and application for being selectively adsorbing and separating anionic dye performance 南开大学 2019-05-17 CN disclosed
CN-109351334-A A kind of methylene blue adsorption number material and its preparation method and application that water is stable 内蒙古大学 2019-02-19 CN disclosed
CN-107474060-A It is a kind of have be selectively adsorbing and separating metal-organic framework material of anionic dye performance and its preparation method and application 南开大学 2017-12-15 CN disclosed
CN-104804730-A Fluorescent material and preparation method thereof CHANGCHUN APPLIED CHEMISTRY 2015-07-29 CN disclosed