SCHEMBL28005922

SCHEMBL28005922

O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[Cd].c1c[nH]nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA7 P43166 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA14 Q9ULX7 3/20 0.37
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ TPMT P51580 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CA3 P07451 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA6 P23280 2/20 0.35
▸ CA5A P35218 2/20 0.35

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
SCHEMBL28012220 0.98 ALOX15 (0.40) ALOX15TSHRHIF1ACA12CA1
Isophthalic Acid SCHEMBL28064664 0.89 CA12 (0.44) TSHRCA12CA1CA2CA9
Terephthalic Acid SCHEMBL28005997 0.88 TSHR (0.48) ALOX15TSHRCA12CA1CA2
Isophthalic Acid SCHEMBL28050876 0.87 CA12 (0.46) TSHRCA12CA1CA2CA9
Naphthalene SCHEMBL28012217 0.86 MEN1 (0.40) ALOX15TSHRHIF1ACA12KDM4E
Terephthalic Acid SCHEMBL27990724 0.86 TSHR (0.50) ALOX15TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL28065968 0.84 TSHR (0.48) ALOX15TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL28044877 0.84 TSHR (0.48) ALOX15TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL28013542 0.84 TSHR (0.48) ALOX15TSHRCA12CA1CA2
SCHEMBL28857763 0.84 TP53 (0.45) KDM4EALDH1A1MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557992-B Double triazole trimesic acid cadmium complex of naphthalene with potential fluorescent material and preparation method thereof 天津师范大学 2016-08-17 — — CN claimed
CN-104557992-A Naphthalene bistriazole trimesinic acid cadmium complex with potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-04-29 — — CN claimed
CN-104557992-B Double triazole trimesic acid cadmium complex of naphthalene with potential fluorescent material and preparation method thereof 天津师范大学 2016-08-17 — — CN disclosed
CN-104557992-B Double triazole trimesic acid cadmium complex of naphthalene with potential fluorescent material and preparation method thereof 天津师范大学 2016-08-17 — — CN disclosed
CN-104557992-B Double triazole trimesic acid cadmium complex of naphthalene with potential fluorescent material and preparation method thereof 天津师范大学 2016-08-17 — — CN disclosed
CN-104557992-A Naphthalene bistriazole trimesinic acid cadmium complex with potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-04-29 — — CN disclosed
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