SCHEMBL722807

SCHEMBL722807

NCC(=C=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.48
APP P05067 1/20 0.48
GAA P10253 1/20 0.48
HCAR3 P49019 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
PLOD2 O00469 2/20 0.46
THRB P10828 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 3/20 0.42

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
SCHEMBL847542 0.78 ALDH1A1 (0.44) F7F3SARM1SIRT2SIRT6
SCHEMBL30195875 0.76 TBXAS1 (0.56) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL28564421 0.76 TBXAS1 (0.56) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2296114 0.76 PLOD2 (0.65) F7F3SARM1SIRT2SIRT6
SCHEMBL29786297 0.76 PLOD2 (0.65) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL30113106 0.74 PLOD2 (0.62) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL5419648 0.74 PLOD2 (0.62) F7F3SARM1SIRT2SIRT6
Hydrochloric Acid SCHEMBL2821363 0.74 PLOD2 (0.62) F7F3SARM1SIRT2SIRT6
Niacin SCHEMBL8159845 0.73 ALDH1A1 (0.78) F7F3SARM1SIRT2SIRT6
Niacin SCHEMBL21749562 0.73 ALDH1A1 (0.78) F7F3SARM1SIRT2SIRT6

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
EP-2608791-A1 A PROCESS FOR THE PREPARATION OF IMATINIB BASE Mustafa Nevzat Ilac Sanayii A.S. (TR) 2013-07-03 EP disclosed
WO-2012026897-A1 A PROCESS FOR THE PREPARATION OF IMATINIB BASE MUSTAFA NEVZAT iLAÇ SANAYU A.Ş. (TR) 2012-03-01 WO disclosed