SCHEMBL4086291

SCHEMBL4086291

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(CN3CCC3)cc1)nn2C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
MET P08581 1/20 0.38
ALK Q9UM73 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TNF P01375 2/20 0.38

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 0.98 LMNA (0.44) MAPK1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL4093445 0.97 LMNA (0.44) MAPK1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL4082722 0.94 RAB9A (0.43) MAPK1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL4088668 0.94 SMN1; SMN2 (0.54) MAPK1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL4088637 0.88 ALDH1A1 (0.43) SMN1; SMN2RAB9AMAPTLMNATSHR
SCHEMBL4082122 0.87 MCHR1 (0.42) MAPTTSHRL3MBTL1KDM4EHRH3
SCHEMBL4091779 0.86 LMNA (0.44) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL4078418 0.86 HTT (0.43) SMN1; SMN2RAB9AMAPTLMNATSHR
SCHEMBL4083509 0.85 GPR35 (0.49) SMN1; SMN2RAB9AMAPTLMNAL3MBTL1
SCHEMBL4091205 0.85 LRRK2 (0.46) MAPK1SMN1; SMN2RAB9AMAPTLMNA

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