SCHEMBL4083518

SCHEMBL4083518

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(CN3CCCC3)cc1)nn2C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MET P08581 1/20 0.40
ALK Q9UM73 1/20 0.40
MCHR1 Q99705 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TNF P01375 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL4093445 0.99 LMNA (0.44) LMNAMAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL4086291 0.98 MAPK1 (0.44) LMNAMAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL4082722 0.94 RAB9A (0.43) LMNAMAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL4088668 0.94 SMN1; SMN2 (0.54) LMNAMAPK1SMN1; SMN2RAB9AMAPT
SCHEMBL4082122 0.89 MCHR1 (0.42) MAPTTSHRL3MBTL1HRH3MCHR1
SCHEMBL4088637 0.88 ALDH1A1 (0.43) LMNASMN1; SMN2RAB9AMAPTTSHR
SCHEMBL4091779 0.86 LMNA (0.44) LMNASMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL4078418 0.86 HTT (0.43) LMNASMN1; SMN2RAB9AMAPTTSHR
SCHEMBL4083509 0.85 GPR35 (0.49) LMNASMN1; SMN2RAB9AMAPTL3MBTL1
SCHEMBL4091205 0.85 LRRK2 (0.46) LMNAMAPK1SMN1; SMN2RAB9AMAPT

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