SCHEMBL23228135

SCHEMBL23228135

C1=Cc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5c(-c7cccc8oc9ccccc9c78)cccc56)n4)ccc3c2CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 4/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ MAPT P10636 4/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ POLB P06746 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
SCHEMBL24217125 0.93 ALOX5 (0.43) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL25652227 0.89 PRKDC (0.36) PRKDCALOX5TSHRPTGES2GGPS1
SCHEMBL22760448 0.86 ALOX5 (0.47) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL23349442 0.86 ALOX5 (0.47) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL22760777 0.86 ALOX5 (0.47) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL22760446 0.85 ALOX5 (0.46) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL22760267 0.85 ALOX5 (0.46) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL22760473 0.85 ALOX5 (0.46) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL22760779 0.85 ALOX5 (0.46) PRKDCALOX5PIK3CDPIK3CBTSHR
SCHEMBL26192858 0.85 ALOX5 (0.46) PRKDCALOX5PIK3CDPIK3CBTSHR

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-2021071248-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DIODE 엘티소재주식회사 2021-04-15 — — WO disclosed
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