SCHEMBL4078532

SCHEMBL4078532

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccccn1)nn2C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
KDM4E B2RXH2 6/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 6/20 0.39
USP2 O75604 3/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 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
SCHEMBL4081200 0.88 MAPT (0.45) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4078418 0.88 HTT (0.43) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4083915 0.87 MAP3K5 (0.37) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4091948 0.85 NPC1 (0.32) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4093454 0.85 JMJD6 (0.38) RAB9AKDM4ENPC1SMN1; SMN2PKM
SCHEMBL4088615 0.85 KMT2A (0.45) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4083791 0.85 LMNA (0.44) RAB9AKDM4ENPC1SMN1; SMN2PKM
SCHEMBL4087183 0.84 RAB9A (0.45) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4088637 0.84 ALDH1A1 (0.43) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1
SCHEMBL4084092 0.84 ALDH1A1 (0.49) RAB9AKDM4ENPC1SMN1; SMN2ALDH1A1

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