SCHEMBL30425440

SCHEMBL30425440

COc1cc2oc(=O)ccc2cc1-n1cc(-c2ccc(-c3ccc(N)cc3)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.46
▸ CA9 Q16790 7/20 0.43
▸ CA12 O43570 6/20 0.43
▸ CA1 P00915 6/20 0.43
▸ CA7 P43166 4/20 0.43
▸ AKR1B1 P15121 3/20 0.43
▸ CA13 Q8N1Q1 3/20 0.43
▸ PGR P06401 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ AMY1A P0DUB6 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CASP7 P55210 1/20 0.42

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
SCHEMBL30425242 0.88 PGR (0.56) MCL1CA9CA12CA1CA7
SCHEMBL30425307 0.82 GPR35 (0.45) CA9CA12CA1CA7KDM4E
SCHEMBL25694970 0.82 GPR35 (0.45) CA9CA12CA1CA7KDM4E
SCHEMBL30425863 0.82 PGR (0.47) CA9PGRKDM4EALDH1A1GLA
SCHEMBL30425254 0.79 CA9 (0.49) CA9CA12CA1PGRCA5A
SCHEMBL25205854 0.79 MAOB (0.47) CA9CA12CA7PGRKDM4E
SCHEMBL30424843 0.79 MAOB (0.47) CA9CA12CA7PGRKDM4E
SCHEMBL25694827 0.74 GPR35 (0.50) CA9CA12CA1CA7KDM4E
SCHEMBL10069265 0.73 ADRA1A (0.35) CA9CA12CA1KDM4EALDH1A1
SCHEMBL13348930 0.73 ADRA1D (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436956-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2024-10-02 — — EP disclosed
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 — — WO disclosed
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