SCHEMBL30425254

SCHEMBL30425254

Nc1ccc(-c2ccc(-c3cn(-c4ccc5oc(=O)ccc5c4)nn3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.49
▸ PGR P06401 4/20 0.43
▸ P2RY14 Q15391 1/20 0.43
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA5A P35218 3/20 0.42
▸ CA5B Q9Y2D0 3/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ PTGS2 P35354 4/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ STS P08842 3/20 0.39
▸ CA12 O43570 4/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39

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
SCHEMBL30426096 0.87 PGR (0.52) CA9PGRCA1CA2CA5A
SCHEMBL30426079 0.81 P2RY14 (0.48) CA9P2RY14CA1CA2CA5A
SCHEMBL25240666 0.81 P2RY14 (0.48) CA9P2RY14CA1CA2CA5A
SCHEMBL30425440 0.79 MCL1 (0.46) CA9PGRCA1CA2CA5A
SCHEMBL30425863 0.76 PGR (0.47) CA9PGR
SCHEMBL25207014 0.75 MAOB (0.51) CA9PGRP2RY14CA2CA5B
SCHEMBL25257527 0.70 P2RY14 (0.44) CA9P2RY14CA1CA2CA5A
SCHEMBL29441432 0.69 CA12 (0.60) CA9PGRCA1CA2CA5A
SCHEMBL483027 0.69 CA12 (0.60) CA9PGRCA1CA2CA5A
SCHEMBL28949786 0.69 HSD17B1 (0.61) CA9P2RY14CA1CA2CA5A

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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