SCHEMBL5359161

SCHEMBL5359161

CCOC(=O)c1n[nH]cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 3/20 0.42
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL719025 0.78 KDM4E (0.49) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL946588 0.76 KDM4E (0.47) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL3376695 0.76 KDM4E (0.51) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL16235771 0.75 KDM4E (0.46) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL983844 0.75 L3MBTL1 (0.48) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL6837256 0.75 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL953967 0.75 KDM4E (0.46) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL1431096 0.75 KDM4E (0.46) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL10551288 0.74 KDM4E (0.48) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL16559320 0.73 POLB (0.48) KDM4EALDH1A1MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed