SCHEMBL29045756

SCHEMBL29045756

O=[N+]([O-])c1ccc(N2CC3CNC[C@H]3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 2/20 0.58
▸ ADRB1 P08588 1/20 0.58
▸ BPTF Q12830 1/20 0.56
▸ MAPT P10636 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL10036164 1.00 SIRT6 (0.58) SIRT6ADRB1BPTFMAPTALDH1A1
SCHEMBL29723778 1.00 SIRT6 (0.58) SIRT6ADRB1BPTFMAPTALDH1A1
Hydrochloric Acid SCHEMBL30354933 0.98 SIRT6 (0.57) SIRT6ADRB1BPTFMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL22495374 0.88 BPTF (0.48) SIRT6ADRB1BPTFMAPTPOLB
SCHEMBL12939934 0.84 MAPT (0.58) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL10036155 0.80 SIRT6 (0.63) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL17630781 0.80 MAPT (0.53) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL29466332 0.78 MAPT (0.50) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL6716676 0.77 MAPT (0.58) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL3549925 0.77 MAPT (0.58) SIRT6ADRB1MAPTALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 — — CN disclosed
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