SCHEMBL4083750

SCHEMBL4083750

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
GSK3B P49841 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SRPK1 Q96SB4 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4088668 0.90 SMN1; SMN2 (0.54) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4091205 0.83 LRRK2 (0.46) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4083518 0.83 LMNA (0.44) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4086291 0.83 MAPK1 (0.44) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4093445 0.82 LMNA (0.44) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL3887134 0.82 ALDH1A1 (0.43) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4082722 0.82 RAB9A (0.43) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4087183 0.79 RAB9A (0.45) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4078418 0.79 HTT (0.43) RAB9ATSHRSMN1; SMN2LMNAMAPT
SCHEMBL4083862 0.79 TAS1R3 (0.38) RAB9ATSHRSMN1; SMN2MAPTMAPK1

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