SCHEMBL81022

SCHEMBL81022

Cc1ccccc1-c1ccc2c(c1)C(C)(C)c1ccc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)nc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
CYP11B1 P15538 1/20 0.34
PTPN1 P18031 1/20 0.34
ADORA1 P30542 1/20 0.34
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
AR P10275 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TRPA1 O75762 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL80236 0.93 CYP11B1 (0.39) CYP11B1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10036757 0.87 PDK2 (0.39) PDK2PTPN1ADORA1ALOX5APFEN1
SCHEMBL10036758 0.85 CYP11B1 (0.38) CYP11B1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL81926 0.83 CYP11B1 (0.38) CYP11B1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL81053 0.79 PDK2 (0.39) PDK2ENPP3
SCHEMBL81159 0.79 PDK2 (0.39) PDK2ENPP3
SCHEMBL81461 0.79 PDK2 (0.39) PDK2ENPP3
SCHEMBL10036759 0.77 KMT2A (0.34) PDK2KDM4EENPP3ALDH1A1HPGD
SCHEMBL80224 0.76 ALDH1A1 (0.36) CYP11B1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL81689 0.76 RARA (0.33) PDK2KDM4EENPP3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed