SCHEMBL29634332

SCHEMBL29634332

CCOC(=O)c1nc2ccccc2c2cc3c(cc12)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.53
CYP19A1 P11511 1/20 0.51
KDM4E B2RXH2 6/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.47
HPGD P15428 3/20 0.47
EDNRA P25101 3/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4121482 0.81 POLB (0.56) ELANEKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL28345153 0.80 KDM4E (0.55) ELANEKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL28880876 0.79 KMT2A (0.53) ELANEKDM4ETP53HSD17B10SMN1; SMN2
SCHEMBL28341789 0.78 ELANE (0.48) ELANEKDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL28344334 0.77 SHMT2 (0.56) ELANEKDM4ETP53HSD17B10SMN1; SMN2
SCHEMBL28344367 0.77 SHMT2 (0.56) ELANEKDM4ETP53HSD17B10SMN1; SMN2
SCHEMBL28341918 0.76 KDM4E (0.45) ELANEKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL29634253 0.73 KMT2A (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL23625902 0.73 LMNA (0.48) ELANECYP19A1KDM4ETP53HSD17B10
SCHEMBL2783140 0.73 KDM4E (0.54) ELANECYP19A1KDM4ETP53HSD17B10

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-110627721-B Phenanthridine compound and synthesis method thereof 陕西科技大学 2022-06-14 CN disclosed