SCHEMBL16066430

SCHEMBL16066430

c1ccc(-c2ccc(-c3cccc(-c4ncnc(-n5c6ccccc6c6cc7c8ccccc8c8nc9ccccc9n8c7cc65)n4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
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
MEN1 O00255 3/20 0.34
CAMKK1 Q8N5S9 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
PIK3CA P42336 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
SCHEMBL16066449 0.99 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066490 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066420 0.86 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066845 0.86 GP6 (0.30) PDE7APDE7B
SCHEMBL16066697 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066462 0.85 ALDH1A1 (0.40) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066450 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066825 0.85 GP6 (0.31)
SCHEMBL16067106 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16066407 0.84 KDM4E (0.40) 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