SCHEMBL7690529

SCHEMBL7690529

c1ccc2cc3nc(Nc4ccncc4)c(Nc4ccncc4)nc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.49
MAPK14 Q16539 2/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1A P35348 1/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDE5A O76074 1/20 0.45

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
SCHEMBL7695446 0.86 ALDH1A1 (0.52) MAPK14ALDH1A1LMNAMEN1KMT2A
SCHEMBL7699333 0.79 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7691053 0.79 MAPT (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7696783 0.79 NPY5R (0.51) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7695685 0.77 KDR (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7692475 0.75 KDM1A (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7695814 0.75 MAPT (0.57) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL28365072 0.74 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL17007682 0.74 ALDH1A1 (0.51) TGFBR1MAPK14ALDH1A1LMNAMEN1
SCHEMBL7690370 0.73 MEN1 (0.65) ALDH1A1MEN1KMT2AMAPTGAA

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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed