SCHEMBL16675649

SCHEMBL16675649

c1ccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.39
ALOX5 P09917 3/20 0.39
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
ESR2 Q92731 1/20 0.32
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
F9 P00740 1/20 0.30

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
SCHEMBL15583146 0.97 ALOX5 (0.40) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL24676300 0.93 ALOX5 (0.41) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL24923149 0.91 ALOX5 (0.40) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL17246079 0.90 ALOX5 (0.40) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL20715250 0.89 ALOX5 (0.42) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL20715247 0.89 ALOX5 (0.42) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL19830484 0.88 ESR2 (0.35) PRKDCALOX5ESR2
SCHEMBL17126191 0.88 PRKDC (0.35) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL19287635 0.88 PRKDC (0.37) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL17126168 0.88 PRKDC (0.35) PRKDCALOX5PIK3CDPIK3CBBRD4

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-20150115205-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-30 US disclosed
US-20150115205-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-30 US disclosed