SCHEMBL10032397

SCHEMBL10032397

c1cc(-c2ccc(-c3ccc4ccc5ccc(-c6cccc7ccccc67)cc5c4n3)cc2)cc(-c2cccc(-c3ccc(-c4ccc5ccc6ccc(-c7cccc8ccccc78)cc6c5n4)cc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
PARP1 P09874 1/20 0.40
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL10032536 1.00 CA12 (0.45) CA12CA1CA2CA9ENPP3
SCHEMBL10032403 0.97 CA12 (0.45) CA12CA1CA2CA9ENPP3
SCHEMBL10032530 0.96 CA12 (0.43) CA12CA1CA2CA9ENPP3
SCHEMBL10032405 0.96 CA12 (0.43) CA12CA1CA2CA9ENPP3
SCHEMBL10032379 0.96 ENPP1 (0.46) CA12CA1CA2CA9ENPP3
SCHEMBL10032515 0.94 ENPP1 (0.47) CA12CA1CA2CA9ENPP3
SCHEMBL10032408 0.93 PIM1 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL10032354 0.91 ENPP1 (0.48) CA12CA1CA2CA9ENPP3
SCHEMBL10032398 0.90 ENPP1 (0.47) CA12CA1CA2CA9ENPP3
SCHEMBL21103645 0.89 CA12 (0.48) CA12CA1CA2CA9ENPP3

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