SCHEMBL29907910

SCHEMBL29907910

CCNc1nc(C)c(CCCCC(=O)O)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SCD O00767 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
PPARA Q07869 3/20 0.35
ATM Q13315 1/20 0.34
AKR1B1 P15121 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8972565 0.75 KMT2A (0.47) L3MBTL1KMT2AMEN1GAAMCL1
SCHEMBL3131429 0.75 KMT2A (0.50) L3MBTL1KMT2AMEN1GAAMCL1
SCHEMBL3148652 0.71 KMT2A (0.62) L3MBTL1KMT2AMEN1GAAMCL1
SCHEMBL28619888 0.68 POLB (0.45) GAAKDM4EHTTALDH1A1LMNA
SCHEMBL3148784 0.67 KMT2A (0.52) L3MBTL1KMT2AMEN1GAAKDM4E
Ligustrazine SCHEMBL28678860 0.66 LMNA (0.58) KMT2AMEN1ALDH1A1LMNAPPARA
SCHEMBL3138830 0.66 GPR84 (0.59) KMT2AMEN1SCDALDH1A1PPARA
SCHEMBL8501601 0.66 PRMT1 (0.52) L3MBTL1KMT2AMEN1KDM4ECYP1A2
SCHEMBL3135531 0.66 PRMT1 (0.52) L3MBTL1KMT2AMEN1KDM4ECYP1A2
SCHEMBL284282 0.66 PRMT1 (0.52) L3MBTL1KMT2AMEN1KDM4ECYP1A2

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
CN-114989098-A Ethirimol hapten, full antigen, antibody, preparation method and application 中国农业科学院农业质量标准与检测技术研究所 2022-09-02 CN disclosed