SCHEMBL7699335

SCHEMBL7699335

COc1ccc(CCNc2nc3cc4ccccc4cc3nc2NCCc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.55
PGK1 P00558 2/20 0.53
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGDR Q13258 3/20 0.49
CYP3A4 P08684 3/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 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
SCHEMBL7697247 0.79 MAPK14 (0.48) ACP1MAPTKMT2ACYP3A4CYP1A2
SCHEMBL2845653 0.76 APP (0.76) ACP1KMT2A
SCHEMBL4865170 0.75 PDE5A (0.76) ACP1MAPTMEN1KMT2ACYP3A4
SCHEMBL13451639 0.75 PPARG (0.63) ACP1MAPTMEN1KMT2APTGDR
SCHEMBL6226359 0.74 MAPT (0.73) MAPTMEN1KMT2A
SCHEMBL7690147 0.73 LMNA (0.53) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7697732 0.73 LCK (0.58) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4497855 0.73 PTGDR (0.51) ACP1MAPTMEN1KMT2APTGDR
SCHEMBL23747941 0.72 ACHE (0.63) KMT2ATSHRHTTKDM4E
SCHEMBL4488036 0.72 TACR3 (0.51) ACP1MAPTMEN1KMT2APTGDR

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