SCHEMBL17033405

SCHEMBL17033405

Fc1cccc(-c2cc(-c3cccc(F)c3)nc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGER1 P34995 1/20 0.32
PIM1 P11309 3/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ADORA2A P29274 1/20 0.31
ACP1 P24666 1/20 0.31
SYK P43405 1/20 0.31
CDC7 O00311 3/20 0.31
GSK3B P49841 2/20 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
SCHEMBL17033510 0.97 KDM4E (0.35) KDM4EALDH1A1HTTIDO1MAPT
SCHEMBL17033475 0.87 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL17033411 0.86 HSD17B10 (0.38) KDM4EALDH1A1MAPTMAPK1MEN1
SCHEMBL17033823 0.85 PTGER1 (0.34) KDM4EALDH1A1HTTIDO1MAPT
SCHEMBL17033664 0.85 ALDH1A1 (0.35) KDM4EALDH1A1HTTIDO1MAPT
SCHEMBL16067126 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HTTMAPTXBP1
SCHEMBL17033470 0.83 KDM4E (0.36) KDM4EALDH1A1MAPTMAPK1MEN1
SCHEMBL17033762 0.83 PTGER1 (0.34) KDM4EALDH1A1HTTIDO1MAPT
SCHEMBL17033839 0.83 KDM5B (0.33) KDM4EALDH1A1HTTIDO1MAPT
SCHEMBL16066976 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HTTMAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed