SCHEMBL15930293

SCHEMBL15930293

c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
CACNG2 Q9Y698 1/20 0.48
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
PTGER4 P35408 1/20 0.42
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL15930298 1.00 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930290 0.98 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930297 0.98 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930461 0.92 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930481 0.92 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17451713 0.91 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15073755 0.90 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15073565 0.90 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20152196 0.90 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15073676 0.90 ESR1 (0.59) 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