SCHEMBL10043635

SCHEMBL10043635

CC(C)(C)c1ccc2oc3c(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4nc(-c5ccccc5)c5c(n4)=CCCC=5)cccc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.33
ALOX5 P09917 1/20 0.33
GGPS1 O95749 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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 0.91 ALOX5 (0.37) PRKDCALOX5GGPS1
SCHEMBL808312 0.86 ALOX5 (0.37) PRKDCALOX5GGPS1
SCHEMBL1755209 0.86 ALOX5 (0.37) PRKDCALOX5GGPS1
SCHEMBL1755028 0.81 PRKDC (0.30) PRKDC
SCHEMBL1755012 0.81 PRKDC (0.30) PRKDC
SCHEMBL10043206 0.80
SCHEMBL1755208 0.79
SCHEMBL1755218 0.78 ALOX5 (0.31) PRKDCALOX5
SCHEMBL807853 0.78 ALOX5 (0.36) PRKDCALOX5GGPS1
SCHEMBL15497630 0.78 ALOX5 (0.42) PRKDCALOX5GGPS1ALDH1A1MAPT

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-2012050371-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-04-19 WO disclosed