SCHEMBL10035912

SCHEMBL10035912

CN1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.65
LMNA P02545 1/20 0.58
CRBN Q96SW2 2/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
ADRB1 P08588 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 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
SCHEMBL10036165 0.91 SIRT6 (0.65) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL13247587 0.91 SIRT6 (0.73) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL22466180 0.91 MAPT (0.57) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL22471328 0.87 SIRT6 (0.67) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL25797079 0.82 CRBN (0.52) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL22466224 0.81 SIRT6 (0.58) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL22175056 0.81 SIRT6 (0.63) SIRT6LMNACRBNMAPTALDH1A1
SCHEMBL447471 0.79 SIRT6 (1.00) SIRT6LMNAMAPTALDH1A1POLB
SCHEMBL4290276 0.79 ESRRG (0.63) SIRT6CRBNMAPTALDH1A1POLB
SCHEMBL4290270 0.79 ESRRG (0.63) SIRT6CRBNMAPTALDH1A1POLB

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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed