SCHEMBL30426096

SCHEMBL30426096

O=c1ccc2cc(-n3cc(-c4ccccc4)nn3)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.52
▸ CA9 Q16790 8/20 0.52
▸ CA12 O43570 6/20 0.49
▸ CA2 P00918 4/20 0.49
▸ CA1 P00915 3/20 0.49
▸ PTGS2 P35354 2/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA5B Q9Y2D0 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ OGT O15294 2/20 0.44
▸ LDHA P00338 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ GSK3B P49841 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
SCHEMBL30425254 0.87 CA9 (0.49) PGRCA9CA12CA2CA1
SCHEMBL25202857 0.80 CA9 (0.50) CA9CA12CA2CA1PTGS2
SCHEMBL30425242 0.78 PGR (0.56) PGRCA9CA12CA1CA5A
SCHEMBL30425552 0.74 PGR (0.59) PGRCA9CA12
SCHEMBL3550958 0.74 SRC (0.52) CA9CA12CA2CA1PTGS2
SCHEMBL25205834 0.74 MAOB (0.53) PGRCA9CA12CA2CA5B
SCHEMBL13315780 0.72 BCHE (0.49) CA9CA12CA2CA1PTGS2
SCHEMBL26628312 0.71 PTGS2 (0.67) CA9CA12CA2CA1PTGS2
SCHEMBL1119554 0.71 PTGS2 (0.66) CA9CA12CA2CA1PTGS2
SCHEMBL17021956 0.71 CA12 (0.59) PGRCA9CA12CA2CA1

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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