SCHEMBL10035919

SCHEMBL10035919

Cc1ccc(C2=CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
SIRT6 Q8N6T7 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRB1 P08588 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL4395761 0.87 MEN1 (0.56) MAPTALDH1A1SIRT6POLBMEN1
SCHEMBL12240580 0.80 SIRT6 (0.74) MAPTALDH1A1SIRT6ACHEHSD17B10
SCHEMBL14810722 0.78 QDPR (0.58) SIRT6POLBLMNA
SCHEMBL27945231 0.74 KDM4E (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL14131758 0.73 SIRT6 (0.48) MAPTALDH1A1SIRT6POLBMEN1
SCHEMBL7292646 0.73 MAPT (0.48) MAPTALDH1A1SIRT6POLBMEN1
SCHEMBL3033121 0.73 SIRT6 (0.45) MAPTALDH1A1SIRT6POLBMEN1
SCHEMBL628918 0.73 ACHE (0.86) MAPTALDH1A1ACHEHSD17B10POLB
SCHEMBL14587404 0.72 SLC6A4 (0.39) MAPTALDH1A1SIRT6ACHEHSD17B10
SCHEMBL11549718 0.72 POLB (0.71) MAPTALDH1A1SIRT6ACHEPOLB

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