SCHEMBL16066462

SCHEMBL16066462

c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc7c8ccccc8c8nc9ccccc9n8c7cc65)n4)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 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 5/20 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
NPSR1 Q6W5P4 2/20 0.33
PTK2B Q14289 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP7 P55210 1/20 0.31
CAMKK1 Q8N5S9 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
SCHEMBL16066407 0.99 KDM4E (0.40) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066511 0.89 KDM4E (0.43) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066421 0.87 KDM4E (0.31) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL16066850 0.86 DKK1 (0.34) KDM4EKMT2ASMN1; SMN2MAPTPOLB
SCHEMBL16066777 0.86 KDM4E (0.44) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066430 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066425 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066849 0.85 PIK3CA (0.33) PIK3CA
SCHEMBL16067107 0.85 KDM4E (0.45) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL16066449 0.84 KDM4E (0.41) 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