SCHEMBL16067178

SCHEMBL16067178

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)c4)nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8nc7c6cc54)n3)c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
METAP1 P53582 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSD P07339 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
DHODH Q02127 1/20 0.32
MEN1 O00255 2/20 0.32
FLT3 P36888 2/20 0.32
BMX P51813 1/20 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
SCHEMBL16066115 1.00 HPGD (0.37) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16066716 0.93 HPGD (0.38) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16066492 0.92 HPGD (0.37) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16067157 0.88 KDM4E (0.44) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16066123 0.88 KDM4E (0.44) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16067198 0.87 HPGD (0.39) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16066154 0.87 HPGD (0.39) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16066696 0.86 KDM4E (0.37) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16066118 0.86 KDM4E (0.48) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL16067083 0.86 KDM4E (0.48) HPGDKDM4EALDH1A1HSD17B10MAPT

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