SCHEMBL1755034

SCHEMBL1755034

C1=CC(c2cccc(-c3nc(-n4c5ccc(-c6cccc7c6oc6ccccc67)cc5c5c6oc7ccccc7c6ccc54)nc4ccccc34)c2)=CCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GGPS1 O95749 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
SCHEMBL15497652 0.89 ALOX5 (0.40) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL15497630 0.88 ALOX5 (0.42) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL15497629 0.87 ALOX5 (0.42) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL15497650 0.87 ALOX5 (0.42) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL1755001 0.86 PRKDC (0.42) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL15497656 0.85 ALOX5 (0.43) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL15497616 0.83 ALOX5 (0.39) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL22708803 0.83 KDM4E (0.30) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL15497607 0.83 ALOX5 (0.41) PRKDCALOX5KDM4EALDH1A1MAPT
SCHEMBL15497606 0.83 ALOX5 (0.42) PRKDCALOX5KDM4EALDH1A1MAPT

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