SCHEMBL4088668

SCHEMBL4088668

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(CN3CCOCC3)cc1)nn2C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
STAT3 P40763 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HIF1A Q16665 4/20 0.44
EPAS1 Q99814 4/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4083518 0.94 LMNA (0.44) SMN1; SMN2RAB9AMAPK1LMNAMAPT
SCHEMBL4086291 0.94 MAPK1 (0.44) SMN1; SMN2RAB9AMAPK1LMNAMAPT
SCHEMBL4093445 0.93 LMNA (0.44) SMN1; SMN2RAB9AMAPK1LMNAMAPT
SCHEMBL4082722 0.92 RAB9A (0.43) SMN1; SMN2RAB9AMAPK1LMNAMAPT
SCHEMBL4091205 0.90 LRRK2 (0.46) SMN1; SMN2RAB9AMAPK1LMNAMAPT
SCHEMBL4083750 0.90 RAB9A (0.41) SMN1; SMN2RAB9AMAPK1LMNAMAPT
SCHEMBL4088637 0.86 ALDH1A1 (0.43) SMN1; SMN2RAB9ALMNAMAPTTSHR
SCHEMBL4091779 0.85 LMNA (0.44) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL4083005 0.85 MAPT (0.44) SMN1; SMN2RAB9AMAPTTSHRKMT2A
SCHEMBL4078418 0.84 HTT (0.43) SMN1; SMN2RAB9ALMNAMAPTTSHR

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed