SCHEMBL10032407

SCHEMBL10032407

c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccccc6-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)cc9c8n7)c6)c5)nc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
ENPP3 O14638 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
TGFBR1 P36897 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM3 Q86V86 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KMO O15229 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL31198218 0.94 PARP1 (0.43) PARP1PLGPLAUCYP11B1CYP11B2
SCHEMBL10032348 0.94 PARP1 (0.43) PARP1PLGPLAUCYP11B1CYP11B2
SCHEMBL10032361 0.94 PARP1 (0.43) PARP1PLGPLAUCYP11B1CYP11B2
SCHEMBL10032321 0.94 PARP1 (0.43) PARP1PLGPLAUCYP11B1CYP11B2
SCHEMBL10032456 0.94 PARP1 (0.43) PARP1PLGPLAUCYP11B1CYP11B2
SCHEMBL10032403 0.91 CA12 (0.45) PARP1ENPP3PIM1PIM2RAB9A
SCHEMBL10032535 0.91 PARP1 (0.41) PARP1ENPP3PIM1PIM2PLG
SCHEMBL10032457 0.91 PARP1 (0.46) PARP1PIM1PIM2PLGPLAU
SCHEMBL10032355 0.91 PARP1 (0.46) PARP1PIM1PIM2PLGPLAU
SCHEMBL10032530 0.90 CA12 (0.43) PARP1ENPP3PIM1PIM2RAB9A

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