SCHEMBL10036155

SCHEMBL10036155

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 2/20 0.63
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48

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 0.84 MAPT (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL29466332 0.81 MAPT (0.50) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL1042577 0.80 SIRT6 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL29723778 0.80 SIRT6 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL29580661 0.80 MEN1 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL10036164 0.80 SIRT6 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL29045756 0.80 SIRT6 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL13616659 0.80 MEN1 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL1042578 0.80 SIRT6 (0.58) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL17630781 0.80 MAPT (0.53) SIRT6LMNAMAPTALDH1A1POLB

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-111315747-B Dihydropyrazolopyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-02 — — CN disclosed
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 — — WO disclosed
Send feedback