SCHEMBL6921905

SCHEMBL6921905

Cn1nc(CC(C)(C)C)c(C(=O)c2cccnc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 4/20 0.39
APP P05067 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38

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
SCHEMBL6918282 0.86 ALDH1A1 (0.42) LMNAALDH1A1APPGAAHCAR3
SCHEMBL6922367 0.85 HTT (0.40) LMNATDP1CYP1A2CYP3A4CYP11B1
SCHEMBL2214214 0.84 ALDH1A1 (0.43) LMNATDP1CYP1A2CYP3A4CYP11B1
SCHEMBL6919835 0.82 L3MBTL1 (0.47) LMNACYP1A2ALDH1A1GAATSHR
SCHEMBL6820177 0.82 ALDH1A1 (0.42) LMNAALDH1A1APPGAAHCAR3
SCHEMBL6920087 0.81 LMNA (0.47) LMNATDP1ALDH1A1APPGAA
SCHEMBL6921251 0.79 TSHR (0.49) LMNATDP1CYP1A2CYP3A4CYP11B1
SCHEMBL6919778 0.75 ALDH1A1 (0.41) LMNACYP1A2ALDH1A1APPGAA
SCHEMBL6920743 0.75 NPC1 (0.42) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL6916106 0.74 LMNA (0.46) LMNATDP1CYP1A2ALDH1A1APP

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 4 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
EP-1456172-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
WO-2003053925-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-07-03 WO disclosed