SCHEMBL28344367

SCHEMBL28344367

CCOC(=O)c1nc2ccccc2c2cc(OC)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.56
ELANE P08246 3/20 0.56
TP53 P04637 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 5/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KMT2A Q03164 1/20 0.48
SCN9A Q15858 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CDC25B P30305 1/20 0.46

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
SCHEMBL28344334 0.95 SHMT2 (0.56) SHMT2ELANETP53SMN1; SMN2ALDH1A1
SCHEMBL4121482 0.85 POLB (0.56) ELANESMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL28345153 0.81 KDM4E (0.55) ELANESMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL28880876 0.80 KMT2A (0.53) ELANETP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16505799 0.79 HPGD (0.53) SHMT2ELANETP53SMN1; SMN2ALDH1A1
SCHEMBL28341789 0.79 ELANE (0.48) ELANETP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL753481 0.78 POLB (0.51) SHMT2ELANETP53SMN1; SMN2ALDH1A1
SCHEMBL28827584 0.77 SHMT2 (0.46) SHMT2ELANETP53SMN1; SMN2ALDH1A1
SCHEMBL30033509 0.77 SHMT2 (0.46) SHMT2ELANETP53SMN1; SMN2ALDH1A1
SCHEMBL29634332 0.77 ELANE (0.53) SHMT2ELANETP53SMN1; SMN2ALDH1A1

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