SCHEMBL4082223

SCHEMBL4082223

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1c(C)nn(C)c1C)nn2C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KIFC1 Q9BW19 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31

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 0.84 TAS2R8 (0.35) KDM4EALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL4081604 0.84 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL4083862 0.82 TAS1R3 (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4084026 0.82 MAPT (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4078418 0.82 HTT (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4091948 0.82 NPC1 (0.32) KDM4EALDH1A1MAPTLMNAL3MBTL1
SCHEMBL4093454 0.82 JMJD6 (0.38) KDM4EALDH1A1NPSR1MAPTMEN1
SCHEMBL4088615 0.81 KMT2A (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4083257 0.81 NAMPT (0.34) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL4087253 0.81 CASP3 (0.38) KDM4EALDH1A1NPSR1MAPTMEN1

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