SCHEMBL15930541

SCHEMBL15930541

c1ccc(-n2c(-c3ccc(-n4c5cnccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)nc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
AOC3 Q16853 8/20 0.47
KCNH2 Q12809 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MDM2 Q00987 1/20 0.45
PTGS2 P35354 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RPS6KA5 O75582 1/20 0.40
G6PD P11413 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
SCHEMBL15930542 0.93 ESR1 (0.50) ESR1ESR2AOC3KCNH2MAPT
SCHEMBL15930283 0.91 ESR1 (0.59) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15073676 0.88 ESR1 (0.59) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15930289 0.88 ESR1 (0.63) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15073682 0.85 ESR1 (0.63) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15073755 0.83 ESR1 (0.54) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15930493 0.83 ESR1 (0.49) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15930540 0.83 ALDH1A1 (0.49) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL13314068 0.83 ESR1 (0.66) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL15930474 0.82 ESR1 (0.56) ESR1ESR2MAPTMEN1HSP90AA1

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