SCHEMBL28880876

SCHEMBL28880876

CCOC(=O)c1ccc2c(c1)c(C(=O)OCC)nc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
HCRTR1 O43613 1/20 0.53
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL28345153 0.88 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4121482 0.87 POLB (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28341789 0.86 ELANE (0.48) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28344334 0.85 SHMT2 (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28341918 0.84 KDM4E (0.45) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28383910 0.83 KDM4E (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28344367 0.80 SHMT2 (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8394469 0.80 NPC1 (0.57) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL10484070 0.79 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL29634332 0.79 ELANE (0.53) KMT2AMEN1ALDH1A1MAPTKDM4E

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