SCHEMBL16066432

SCHEMBL16066432

c1ccc(-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc7c8ccccc8c8nc9ccccc9n8c7cc65)ncn4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
KMO O15229 1/20 0.34
MEN1 O00255 3/20 0.34
FLT3 P36888 3/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
BMX P51813 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL16066418 0.99 KDM4E (0.40) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066423 0.87 FLT3 (0.33) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL16066425 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066419 0.86 KDM4E (0.43) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066851 0.86 KMO (0.37) SMN1; SMN2KMONPC1TSHRRECQL
SCHEMBL16066543 0.85 KDM4E (0.42) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066840 0.85 KMO (0.38) SMN1; SMN2KMONPC1TSHRRECQL
SCHEMBL16066554 0.84 KDM4E (0.44) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066430 0.83 KDM4E (0.40) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066511 0.83 KDM4E (0.43) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed