SCHEMBL20830396

SCHEMBL20830396

COc1ccc2c3c(ccnc13)C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
UGCG Q16739 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
USP2 O75604 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL20830463 0.88 RAB9A (0.56) ALDH1A1POLBKMT2AMEN1UGCG
SCHEMBL16965593 0.81 NPSR1 (0.48) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL20830460 0.79 ESR1 (0.49) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL29832586 0.79 ESR1 (0.49) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL17948241 0.76 PRMT1 (0.68) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL20735130 0.76 ALDH1A1 (0.59) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL20735229 0.74 ALDH1A1 (0.51) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL11747305 0.73 ALDH1A1 (0.62) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL20735081 0.73 RAB9A (0.56) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL7491321 0.72 POLB (0.63) ALDH1A1POLBKMT2AMEN1GAA

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
EP-2900239-B1 DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, OCULAR DISEASES AND RELATED DISORDERS WARNER BABCOCK INST FOR GREEN CHEMISTRY LLC (US) 2019-03-20 EP disclosed