SCHEMBL16066646

SCHEMBL16066646

c1ccc(-n2c3ccccc3c3cc(-c4ccnc(-n5c6ccccc6c6c5ccc5c7ccccc7c7nc8ccccc8n7c56)c4)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CAMKK1 Q8N5S9 2/20 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
SCHEMBL16066178 0.92 KDM4E (0.38) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066770 0.91 KDM4E (0.36) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066996 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066585 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066854 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066505 0.89 KDM4E (0.36) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066979 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16067137 0.88 KDM4E (0.38) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066727 0.84 COMT (0.37) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL21890437 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDKMT2ASMN1; 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