SCHEMBL10032372

SCHEMBL10032372

Cc1cc(C)cc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7ccc8ccc(-c9cc(C)cc(C)c9)cc8c7n6)cc5)nc4c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PARP1 P09874 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GAK O14976 1/20 0.32
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
GMNN O75496 1/20 0.31

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
SCHEMBL10032314 0.91 ENPP3 (0.37) ENPP3PARP1
SCHEMBL10032360 0.88 ENPP3 (0.41) ENPP3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL10032384 0.88 ENPP3 (0.41) ENPP3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL10032446 0.86 AR (0.37) ENPP3MEN1KMT2AKDM4EALDH1A1
SCHEMBL10032344 0.84 CYP1A2 (0.42) ENPP3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL10032292 0.83 RAB9A (0.39) ENPP3SMN1; SMN2PARP1MEN1KMT2A
SCHEMBL10032359 0.82 CYP1A2 (0.41) ENPP3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL10032325 0.80 CTRC (0.38) ENPP3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL25776067 0.79 MAOA (0.43) PARP1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3698006 0.79 RXRA (0.43) RXRARXRBALDH1A1ESR1ESR2

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