SCHEMBL3286589

SCHEMBL3286589

NC(=O)c1cnc(C(N)=O)c(C(N)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.47
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 1/20 0.43
MC4R P32245 1/20 0.43
ADRA1A P35348 1/20 0.43
MC3R P41968 1/20 0.43
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.37
LCK P06239 1/20 0.37
PLAU P00749 2/20 0.35
MAP2K3 P46734 2/20 0.35
PDPK1 O15530 1/20 0.34
IKBKB O14920 1/20 0.33
NNMT P40261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL22544545 0.81 SIRT6 (0.39) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL27729620 0.81 ALDH1A1 (0.44) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL28344636 0.77 SIRT6 (0.44) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL30145632 0.77 SIRT6 (0.44) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL28344658 0.77 SIRT6 (0.39) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL28347446 0.75 HSP90AA1 (0.40) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2635320 0.75 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.72 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL18230703 0.72 SCN9A (0.37) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL30441778 0.71 SIRT6 (0.46) SIRT6ADORA3TSHRMC4RADRA1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618756-B2 Photoconductors containing chelating components XEROX CORPORATION (US) 2009-11-17 US claimed
US-20080220352-A1 Photoconductors containing chelating components XEROX CORPORATION 2008-09-11 US claimed
CN-109069649-A Compositions and methods for treating nasal and paranasal mucosal disorders with nicotinic acetylcholine receptor agonists A·索利斯·赫雷拉 2018-12-21 CN disclosed
US-7718336-B2 Photoconductors containing photogenerating chelating components XEROX CORPORATION (US) 2010-05-18 US disclosed
US-20080220351-A1 Photoconductors containing photogenerating chelating components XEROX CORPORATION 2008-09-11 US disclosed