SCHEMBL6920598

SCHEMBL6920598

CCn1ncc(C(=O)c2cccnc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 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
SCHEMBL6920927 0.81 ALDH1A1 (0.46) HTTALDH1A1APPGAAHCAR3
SCHEMBL6921278 0.77 TSHR (0.46) HTTMAPTALDH1A1APPGAA
SCHEMBL6922174 0.76 MAPT (0.43) HTTMAPTALDH1A1APPGAA
SCHEMBL6919541 0.74 HTT (0.41) HTTMAPTALDH1A1APPGAA
SCHEMBL6922335 0.74 MAPT (0.41) HTTMAPTALDH1A1APPGAA
SCHEMBL6920919 0.74 TBXAS1 (0.52) HTTMAPTALDH1A1APPGAA
SCHEMBL6918790 0.74 LMNA (0.42) HTTMAPTALDH1A1APPGAA
SCHEMBL6919643 0.73 L3MBTL1 (0.46) HTTMAPTALDH1A1GAAL3MBTL1
SCHEMBL6921074 0.73 TBXAS1 (0.48) HTTMAPTALDH1A1APPGAA
SCHEMBL6920008 0.72 L3MBTL1 (0.41) HTTMAPTALDH1A1GAAL3MBTL1

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
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed