SCHEMBL15930286

SCHEMBL15930286

c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.62
ESR2 Q92731 2/20 0.62
GRIA1 P42261 1/20 0.50
CACNG8 Q8WXS5 1/20 0.50
CACNG2 Q9Y698 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGS2 P35354 1/20 0.45

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
SCHEMBL15930295 0.97 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930478 0.95 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15073612 0.93 ESR1 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15073571 0.93 ESR1 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17736949 0.92 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930477 0.92 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22618148 0.92 ESR2 (0.72) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930537 0.91 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14728137 0.91 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930505 0.91 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2

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