SCHEMBL30425552

SCHEMBL30425552

CCN(CC)c1cc2oc(=O)ccc2cc1-n1cc(-c2ccccc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 17/20 0.59
▸ NR3C1 P04150 3/20 0.59
▸ AR P10275 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL30425863 0.89 PGR (0.47) PGRNR3C1ARKDM4EALDH1A1
SCHEMBL25227333 0.84 PGR (0.51) PGRNR3C1ARKDM4EALDH1A1
SCHEMBL3550061 0.82 MAPT (0.60) KDM4EALDH1A1MEN1NPC1USP2
SCHEMBL30425242 0.81 PGR (0.56) PGRKDM4EALDH1A1MEN1LMNA
SCHEMBL13315799 0.80 MAPT (0.58) KDM4EALDH1A1MEN1NPC1USP2
SCHEMBL30425434 0.75 PGR (1.00) PGRNR3C1AR
SCHEMBL30425765 0.75 ALDH1A1 (0.45) PGRKDM4EALDH1A1MEN1USP2
SCHEMBL30426096 0.74 PGR (0.52) PGRCA12CA9
SCHEMBL13348930 0.72 ADRA1D (0.50) KDM4EALDH1A1MEN1NPC1USP2
SCHEMBL2248079 0.72 BCHE (0.44) NPC1MAPTCA12CA9

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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