SCHEMBL30952885

SCHEMBL30952885

COC(=O)c1cc2cc3c(cc2cc1N)OCCO3

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.79
ALDH1A1 P00352 8/20 0.79
MAPT P10636 7/20 0.45
GAA P10253 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 3/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ABL1 P00519 1/20 0.44
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL23625923 1.00 KDM4E (0.79) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30952930 1.00 KDM4E (0.79) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30041634 0.96 KDM4E (0.73) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL24961374 0.96 KDM4E (0.73) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL24824319 0.94 KDM4E (0.70) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL23625932 0.91 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30952894 0.91 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL30952932 0.91 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL666309 0.89 KDM4E (1.00) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL31082315 0.89 KDM4E (1.00) KDM4EALDH1A1MAPTGAAHSD17B10

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-113767090-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-05-28 CN disclosed