SCHEMBL15930503

SCHEMBL15930503

c1ccc(-n2c(-c3ccc4cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)ccc4c3)nc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MAPK10 P53779 4/20 0.38
PTGER4 P35408 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38
RPS6KB1 P23443 2/20 0.35
PRKACA P17612 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL15930400 0.94 MAPK10 (0.41) ESR1ESR2MAPK10PTGER4HDAC1
SCHEMBL15930390 0.93 ESR1 (0.41) ESR1ESR2MAPK10PTGER4HDAC1
SCHEMBL15930491 0.93 ESR1 (0.45) ESR1ESR2MAPK10HDAC1HDAC8
SCHEMBL15930307 0.92 ESR1 (0.47) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL15930524 0.92 ESR1 (0.39) ESR1ESR2MAPK10PTGER4HDAC1
SCHEMBL15930423 0.91 ESR1 (0.42) ESR1ESR2MAPK10PTGER4HDAC1
SCHEMBL15930510 0.91 ESR1 (0.46) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL23154597 0.90 ESR1 (0.43) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL15930522 0.89 ESR1 (0.49) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL15930382 0.89 ESR1 (0.44) ESR1ESR2PTGER4HDAC1HDAC8

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