SCHEMBL28359772

SCHEMBL28359772

Cc1cccc2nc(CN=[N+]=[N-])c3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.37
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
C1R P00736 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL28363465 0.83 ALDH1A1 (0.40) ELANEAPP
SCHEMBL15522679 0.81 KMT2A (0.53) KMT2AAPP
SCHEMBL28363448 0.80 BACE1 (0.35) KMT2AC1RAPP
SCHEMBL28363563 0.78 KMT2A (0.41) KMT2AAPP
SCHEMBL2760595 0.76 KMT2A (0.61) ELANEKMT2APARP1
SCHEMBL28359898 0.75 ELANE (0.40) ELANEKMT2APARP1C1RAPP
SCHEMBL3256104 0.70 GPR3 (0.61) ELANEKMT2APARP1
SCHEMBL28211601 0.70 CYP1A2 (0.41) ELANEPARP1APP
SCHEMBL28350695 0.69 TDP1 (0.41) C1R
SCHEMBL16280692 0.69 ALDH1A1 (0.46) KMT2AAPP

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-110684989-B Method for electrochemically synthesizing 6-azido methyl phenanthridine compound 常州工学院 2020-08-04 CN disclosed
CN-110684989-A Method for electrochemically synthesizing 6-azido methyl phenanthridine compound 常州工学院 2020-01-14 CN disclosed