SCHEMBL29138874

SCHEMBL29138874

CCOc1ccc([C@H]2COCCN2C=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
MTOR P42345 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
FKBP1A P62942 1/20 0.32
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
CHEK1 O14757 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL29138887 1.00 SMN1; SMN2 (0.38) SMN1; SMN2LMNATP53GPR84MTOR
SCHEMBL29138797 0.81 PIK3CD (0.30) MTOR
SCHEMBL29651014 0.77
SCHEMBL29138861 0.74 MTOR (0.35) SMN1; SMN2MTORALDH1A1MAPTKDM4E
SCHEMBL29138878 0.74 MTOR (0.35) SMN1; SMN2MTORALDH1A1MAPTKDM4E
SCHEMBL29138795 0.74 ATM (0.31) MTORNPSR1
SCHEMBL29138900 0.71 HIF1A (0.39) SMN1; SMN2LMNAMTORMAPTKDM4E
SCHEMBL29138869 0.71 HIF1A (0.39) SMN1; SMN2LMNAMTORMAPTKDM4E
SCHEMBL30714973 0.70 PIK3C3 (0.41) SMN1; SMN2MTORALDH1A1MAPTKDM4E
SCHEMBL24540649 0.69 SMN1; SMN2 (0.37) SMN1; SMN2LMNATP53ATRMAPT

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