SCHEMBL28344708

SCHEMBL28344708

CCOC(=O)CC(=O)C1C=CC=CC1=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PKM P14618 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
PPID Q08752 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
SCHEMBL28344329 0.87
SCHEMBL29504097 0.81
SCHEMBL20495271 0.78 GSK3A (0.35) MGAMGAASIMGAM2NFKB1
SCHEMBL9297062 0.77 GAA (0.40) MGAMGAASIMGAM2NFKB1
Hydrochloric Acid SCHEMBL27759944 0.70
SCHEMBL30774980 0.67
SCHEMBL27963444 0.64 TDP1 (0.33)
SCHEMBL27367444 0.63 NFKB1 (0.38) GAANFKB1NFKB2RELAGSK3A
SCHEMBL6924804 0.61 GSK3A (0.41) MGAMGAASIMGAM2NFKB1
Malonic Acid Diethyl Ester SCHEMBL8636 0.60 GAA (1.00) MGAMGAASIMGAM2PKM

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 2 patents. 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
CN-110627721-A Phenanthridine compound and synthesis method thereof 陕西科技大学 2019-12-31 CN disclosed