SCHEMBL29138906

SCHEMBL29138906

CC1(C)CN(C=O)[C@@H](c2ccc(C(F)(F)F)cn2)CO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
APAF1 O14727 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FGFR4 P22455 3/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CXCR3 P49682 2/20 0.31
NPY5R Q15761 1/20 0.31
ABL1 P00519 1/20 0.31
LMNA P02545 1/20 0.31
XPO1 O14980 1/20 0.31
EPHX2 P34913 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL29138869 0.77 HIF1A (0.39) KDM4EMAPTSMN1; SMN2FGFR4ABL1
SCHEMBL29138900 0.77 HIF1A (0.39) KDM4EMAPTSMN1; SMN2FGFR4ABL1
SCHEMBL31424110 0.72 KDM4E (0.34) KDM4EMAPTSMN1; SMN2ALDH1A1APAF1
SCHEMBL31424096 0.72 LIPE (0.39) KDM4EMAPTSMN1; SMN2ALDH1A1APAF1
SCHEMBL24540721 0.69 NPSR1 (0.34) KDM4EALDH1A1LMNANPSR1
SCHEMBL29651037 0.69 NPSR1 (0.34) KDM4EALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL31137617 0.68 NPSR1 (0.33) KDM4EALDH1A1LMNANPSR1
SCHEMBL6903019 0.68 MTOR (0.40) KDM4EMAPTSMN1; SMN2ALDH1A1APAF1
SCHEMBL31017227 0.68 KDM4E (0.35) KDM4EMAPTSMN1; SMN2ALDH1A1APAF1
SCHEMBL29138936 0.66 PDE9A (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1APAF1

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-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed