SCHEMBL30930737

SCHEMBL30930737

COc1cc(-c2cc(C(=O)N3CCN(C)CC3)on2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.41
ERN1 O75460 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
USP30 Q70CQ3 1/20 0.41
CFTR P13569 1/20 0.40
HPGD P15428 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
SCHEMBL30930748 0.82 MAPT (0.45) POLBMAPTPDE4APDE4BPDE4C
SCHEMBL30930754 0.79 SIRT6 (0.50) SIRT6POLBMAPTALDH1A1
SCHEMBL29282830 0.79 SIRT6 (0.50) SIRT6POLBMAPTALDH1A1
SCHEMBL520107 0.77 SIRT6 (0.61) SIRT6POLBMAPTERN1KDM4E
SCHEMBL30930735 0.76 SIRT6 (0.49) SIRT6POLBMAPTERN1KDM4E
SCHEMBL29282820 0.73 NOTUM (0.47) POLBMAPTNPC1RAB9AHPGD
SCHEMBL30930760 0.73 NOTUM (0.47) POLBMAPTNPC1RAB9AHPGD
SCHEMBL15880409 0.72 ALDH1A1 (0.58) SIRT6POLBMAPTKDM4EALDH1A1
SCHEMBL29282823 0.71 POLB (0.43) POLBMAPTALDH1A1LMNANPC1
SCHEMBL520898 0.70 ALDH1A1 (0.66) POLBMAPTALDH1A1LMNARAB9A

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
CN-118047779-B Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2025-02-11 CN disclosed
CN-118047779-A Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2024-05-17 CN disclosed