SCHEMBL808312

SCHEMBL808312

C1=c2nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c2=CCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
PRKDC P78527 2/20 0.35
GGPS1 O95749 1/20 0.33
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
PTGES2 Q9H7Z7 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
SCHEMBL1755051 0.93 ALOX5 (0.37) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL808217 0.89 ALOX5 (0.32) ALOX5PRKDC
SCHEMBL1755209 0.87 ALOX5 (0.37) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL10043635 0.86 PRKDC (0.33) ALOX5PRKDCGGPS1
SCHEMBL25630536 0.85 ALOX5 (0.41) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL25630537 0.85 ALOX5 (0.40) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL807853 0.84 ALOX5 (0.36) ALOX5PRKDCGGPS1PRMT5WDR77
SCHEMBL14979495 0.83 ALOX5 (0.44) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL1755028 0.81 PRKDC (0.30) PRKDC
SCHEMBL1755012 0.81 PRKDC (0.30) PRKDC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012036482-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-22 WO disclosed