SCHEMBL13638494

SCHEMBL13638494

Cc1c2ccccc2nc2cc(-c3ccc(OCc4ccccc4)cc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.51
ENPP1 P22413 1/20 0.51
GSTP1 P09211 2/20 0.47
MCL1 Q07820 2/20 0.46
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
DHODH Q02127 1/20 0.45
MAOA P21397 1/20 0.44
GSK3B P49841 1/20 0.44
IKBKE Q14164 1/20 0.44
CHEK2 O96017 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ROS1 P08922 1/20 0.44
FLT3 P36888 1/20 0.44
ERBB4 Q15303 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL4188548 0.84 MCL1 (0.55) GSTP1MCL1DHODHGSK3B
SCHEMBL13638495 0.79 DHODH (0.45) ENPP3ENPP1MCL1F9F10
SCHEMBL13777100 0.74 DHODH (0.57) ENPP3ENPP1MCL1DHODHHTT
SCHEMBL197017 0.74 LMNA (0.72) ENPP3ENPP1GSTP1MCL1MAOB
SCHEMBL10128671 0.73 LMNA (0.60) ENPP3ENPP1GSTP1MAOBMAOA
SCHEMBL21905211 0.73 DHODH (0.64) ENPP3ENPP1DHODHCHEK2ALOX5
SCHEMBL30572552 0.73 DHODH (0.64) ENPP3ENPP1DHODHCHEK2ALOX5
SCHEMBL30572513 0.73 DHODH (0.64) ENPP3ENPP1DHODHCHEK2ALOX5
SCHEMBL23483029 0.73 LMNA (0.69) ENPP3ENPP1GSTP1MCL1MAOB
SCHEMBL1096817 0.73 LMNA (0.69) ENPP3ENPP1GSTP1MCL1MAOB

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