SCHEMBL10032374

SCHEMBL10032374

c1ccc2c(-c3ccc4ccc5ccc(-c6ccc(-c7cc(-c8cccc9ccccc89)c8ccc9ccc(-c%10cccc%11ccccc%10%11)cc9c8n7)cc6)nc5c4c3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.41
ENPP3 O14638 1/20 0.41
PIM1 P11309 2/20 0.41
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
PARP1 P09874 1/20 0.36
FLT3 P36888 2/20 0.36
BMX P51813 1/20 0.36
PIM2 Q9P1W9 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CLK2 P49760 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
DYRK2 Q92630 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
HIPK3 Q9H422 1/20 0.34

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
SCHEMBL10032515 0.92 ENPP1 (0.47) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032379 0.90 ENPP1 (0.46) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032354 0.89 ENPP1 (0.48) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032398 0.87 ENPP1 (0.47) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032263 0.86 PIM1 (0.42) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032536 0.86 CA12 (0.45) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032397 0.86 CA12 (0.45) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032530 0.85 CA12 (0.43) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032405 0.85 CA12 (0.43) ENPP1ENPP3PIM1MCL1ACMSD
SCHEMBL10032408 0.85 PIM1 (0.40) ENPP1ENPP3PIM1MCL1ACMSD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed