SCHEMBL30425765

SCHEMBL30425765

CCN(CC)c1cc2oc(=O)c(C(=O)O)cc2cc1-n1cc(-c2ccc(-c3ccc(N)cc3)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ SLC16A3 O15427 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ SLC16A1 P53985 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PGR P06401 1/20 0.42
▸ GPR35 Q9HC97 4/20 0.40
▸ P2RY14 Q15391 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ UCHL5 Q9Y5K5 1/20 0.37
▸ MAOB P27338 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL25697807 1.00 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2SLC16A3KDM4E
SCHEMBL25227333 0.91 PGR (0.51) ALDH1A1HPGDSMN1; SMN2SLC16A3KDM4E
SCHEMBL30425307 0.84 GPR35 (0.45) ALDH1A1HPGDSLC16A3KDM4EGPR35
SCHEMBL25694970 0.84 GPR35 (0.45) ALDH1A1HPGDSLC16A3KDM4EGPR35
SCHEMBL30425863 0.84 PGR (0.47) ALDH1A1KDM4EPGRCA9
SCHEMBL30426079 0.79 P2RY14 (0.48) ALDH1A1HPGDKDM4EHSD17B10GPR35
SCHEMBL25240666 0.79 P2RY14 (0.48) ALDH1A1HPGDKDM4EHSD17B10GPR35
SCHEMBL13348930 0.77 ADRA1D (0.50) ALDH1A1HPGDSMN1; SMN2SLC16A3KDM4E
SCHEMBL25205854 0.77 MAOB (0.47) ALDH1A1HPGDKDM4EHSD17B10PGR
SCHEMBL30424843 0.77 MAOB (0.47) ALDH1A1HPGDKDM4EHSD17B10PGR

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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