SCHEMBL29466332

SCHEMBL29466332

O=CN1CC2CN(c3ccc([N+](=O)[O-])cc3)CC2C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ SIRT6 Q8N6T7 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SCN2A Q99250 1/20 0.41

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
SCHEMBL12939934 0.82 MAPT (0.58) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL10036155 0.81 SIRT6 (0.63) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL25170783 0.79 MAPT (0.54) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL4507720 0.79 SIRT6 (0.65) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL17630781 0.78 MAPT (0.53) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL10036164 0.78 SIRT6 (0.58) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL29045756 0.78 SIRT6 (0.58) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL29723778 0.78 SIRT6 (0.58) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL14060301 0.77 AKR1C3 (0.49) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL30307829 0.77 HTR7 (0.40) MAPTADRB1MEN1KMT2A

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-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 — — CN disclosed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 — — CN disclosed
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