SCHEMBL16066532

SCHEMBL16066532

c1ccc(-n2c(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n7c8ccccc8nc67)c54)c3)nc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CAMKK1 Q8N5S9 2/20 0.39
CAMKK2 Q96RR4 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL16066666 0.91 HPGD (0.46) HPGDALDH1A1KDM4EESR1ESR2
SCHEMBL16066376 0.91 KDM4E (0.45) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL16066798 0.89 HPGD (0.47) HPGDALDH1A1KDM4EESR1ESR2
SCHEMBL16066139 0.89 HPGD (0.49) HPGDALDH1A1KDM4EESR1ESR2
SCHEMBL16066378 0.88 HPGD (0.43) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL21890198 0.87 KDM4E (0.47) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL15930441 0.86 ESR1 (0.46) HPGDALDH1A1KDM4EESR1ESR2
SCHEMBL15930424 0.86 ESR1 (0.46) HPGDALDH1A1KDM4EESR1ESR2
SCHEMBL16066518 0.86 BCL2 (0.43) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL15930395 0.86 ESR1 (0.52) HPGDALDH1A1KDM4EESR1ESR2

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