SCHEMBL4087253

SCHEMBL4087253

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1cccn1C)nn2C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
MAPT P10636 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4087974 0.87 TAS2R8 (0.35) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4081604 0.86 ALDH1A1 (0.46) HPGDSMN1; SMN2NPC1RAB9APKM
SCHEMBL4078418 0.85 HTT (0.43) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4093454 0.85 JMJD6 (0.38) HPGDSMN1; SMN2NPC1RAB9APKM
SCHEMBL4083257 0.84 NAMPT (0.34) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4087183 0.84 RAB9A (0.45) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4078532 0.83 RAB9A (0.39) HPGDSMN1; SMN2NPC1RAB9APKM
SCHEMBL4078553 0.83 KDM4E (0.44) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4083791 0.82 LMNA (0.44) HPGDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4093521 0.82 SMN1; SMN2 (0.43) CASP3SENP7HPGDSMN1; SMN2NPC1

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