SCHEMBL15930441

SCHEMBL15930441

c1ccc(-n2c(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
MAPK10 P53779 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL15930424 1.00 ESR1 (0.46) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930481 0.96 ESR1 (0.49) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930461 0.96 ESR1 (0.49) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930290 0.92 ESR1 (0.55) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930297 0.92 ESR1 (0.55) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930395 0.91 ESR1 (0.52) ESR1ESR2GAAMEN1KMT2A
SCHEMBL20152185 0.91 ESR1 (0.52) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930298 0.90 ESR1 (0.52) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930293 0.90 ESR1 (0.52) ESR1ESR2GAAMEN1KMT2A
SCHEMBL16066644 0.89 HPGD (0.46) ESR1ESR2GAAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed