SCHEMBL10032408

SCHEMBL10032408

c1cc(-c2ccc3ccc4ccc(-c5cccc6ccccc56)cc4c3n2)cc(-c2ccccc2-c2cccc(-c3ccc4ccc5ccc(-c6cccc7ccccc67)cc5c4n3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
MCL1 Q07820 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL10032530 0.97 CA12 (0.43) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032405 0.97 CA12 (0.43) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032403 0.96 CA12 (0.45) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032536 0.93 CA12 (0.45) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032397 0.93 CA12 (0.45) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032354 0.93 ENPP1 (0.48) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032515 0.92 ENPP1 (0.47) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032398 0.91 ENPP1 (0.47) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032449 0.91 PIM1 (0.46) PIM1MCL1ACMSDENPP3ENPP1
SCHEMBL10032379 0.91 ENPP1 (0.46) PIM1MCL1ACMSDENPP3ENPP1

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