SCHEMBL8201443

SCHEMBL8201443

CCOC(=O)NC(=NC(=O)O)n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
NOS1 P29475 3/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NLRP3 Q96P20 1/20 0.35
ELANE P08246 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
PLAU P00749 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL3285131 0.82 ELANE (0.38) NOS1KMT2AELANEPLAULMNA
SCHEMBL8196306 0.82 POLB (0.44) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL22798569 0.82 POLB (0.44) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17654422 0.81 RAB9A (0.32) NOS1KMT2AL3MBTL1ELANERAB9A
SCHEMBL13518680 0.81 RAB9A (0.32) NOS1KMT2AL3MBTL1ELANERAB9A
SCHEMBL13518677 0.81 RAB9A (0.32) NOS1KMT2AL3MBTL1ELANERAB9A
SCHEMBL8196529 0.80 NOS1 (0.39) NOS1ALDH1A1ELANERAB9A
SCHEMBL24177802 0.79 PCSK9 (0.33) NOS1KMT2AALDH1A1NLRP3ELANE
SCHEMBL14936429 0.76 ELANE (0.38) NOS1ELANEPLAU
SCHEMBL8195539 0.76 ELANE (0.34) SMN1; SMN2NOS1ELANEPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078723-A1 PROCESS FOR THE PREPARATION OF BUTOXYCARBONYLIMINO COMPOUNDS AND INTERMEDIATES THEREFOR GLAXO GROUP LIMITED (GB) 2000-12-28 WO disclosed