SCHEMBL22135482

SCHEMBL22135482

c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)oc5ccccc56)cccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
PRKDC P78527 3/20 0.43
GGPS1 O95749 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23349769 1.00 ALOX5 (0.47) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23349883 0.98 ALOX5 (0.46) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23349530 0.98 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL24217309 0.98 ALOX5 (0.43) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23349800 0.98 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23349514 0.97 ALOX5 (0.45) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23349458 0.97 ALOX5 (0.45) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23349572 0.97 ALOX5 (0.43) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL23913451 0.96 ALOX5 (0.43) ALOX5PRKDCGGPS1PTGES2MAPT
SCHEMBL26194217 0.96 ALOX5 (0.43) ALOX5PRKDCGGPS1PTGES2MAPT

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-2020130509-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed