SCHEMBL13633670

SCHEMBL13633670

[3H]c1ccc2c(=O)c3ccccc3n(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
GPR3 P46089 1/20 0.56
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
TLR9 Q9NR96 1/20 0.48
NTRK1 P04629 1/20 0.47
NQO2 P16083 1/20 0.46
HCRTR1 O43613 2/20 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
SCHEMBL13633648 0.96 ATM (0.57) ATMGPR3HTTMAPTALDH1A1
SCHEMBL29466066 0.88 GPR3 (0.71) ATMGPR3HTTMAPTALDH1A1
SCHEMBL53107 0.88 GPR3 (0.71) ATMGPR3HTTMAPTALDH1A1
SCHEMBL21312375 0.83 GPR3 (0.71) ATMGPR3HTTMAPTALDH1A1
SCHEMBL85776 0.80 ATM (0.71) ATMGPR3HTTMAPTALDH1A1
SCHEMBL29361718 0.80 ATM (0.71) ATMGPR3HTTMAPTALDH1A1
SCHEMBL24548166 0.79 GPR3 (0.73) ATMGPR3HTTMAPTALDH1A1
SCHEMBL31333043 0.77 ATM (0.57) ATMGPR3HTTMAPTALDH1A1
SCHEMBL11188527 0.76 ATM (0.56) ATMGPR3HTTMAPTALDH1A1
SCHEMBL13412880 0.75 GPR3 (0.58) ATMGPR3HTTMAPTALDH1A1

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
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed