SCHEMBL27386166

SCHEMBL27386166

CNC(=O)c1ncc(COC)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.38
TYK2 P29597 4/20 0.37
NNMT P40261 3/20 0.36
VCAM1 P19320 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
PARP1 P09874 1/20 0.35
SYK P43405 2/20 0.34
BACE1 P56817 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL27386940 0.82 NPC1 (0.44) ATMSIRT2SIRT1SIRT3BACE1
SCHEMBL13363453 0.78 LMNA (0.38) ICAM1SELEKCNH2ATMNNMT
SCHEMBL31220981 0.75 KDM4E (0.41) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2389957 0.75 KDM4E (0.41) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2338977 0.73 KDM5A (0.40) CYP11B2KDM4EALDH1A1MAPTALOX15
SCHEMBL8758676 0.72 KDM5A (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13370901 0.72 KDM4E (0.39) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL29619773 0.72 KDM5A (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1503252 0.72 HPGDS (0.42) NNMTSIRT2SIRT1SIRT3SYK
SCHEMBL20180706 0.72 CNR2 (0.38) KCNH2ATMBACE1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1319599-A Process for preparing imidazolinone AMERICAN CYANAMID CO (US) 2001-10-31 CN disclosed
CN-1068882-C Process for producing 5- (alkoxymethyl) -2, 3-pyridinedicarboximide compound AMERICAN CYANAMID CO (US) 2001-07-25 CN disclosed
CN-1169995-A Process for producing 5- (alkoxymethyl) -2, 3-pyridinedicarboximide compound AMERICAN CYANAMID CO (US) 1998-01-14 CN disclosed