SCHEMBL22048839

SCHEMBL22048839

c1ccc2c(c1)oc1c(-c3cc4c5ccccc5c5c6ccccc6c6ccccc6c5c4cn3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
PRKDC P78527 5/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
GGPS1 O95749 1/20 0.37
ATM Q13315 1/20 0.37
AHR P35869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
DRD4 P21917 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LIMK1 P53667 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13021697 0.82 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL129688 0.81 GRM4 (0.51) ALOX5PRKDCPIK3CDPIK3CBMAPT
SCHEMBL13834440 0.80 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL26841115 0.79 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL16133260 0.79 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL24527879 0.79 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL27147697 0.79 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL31180479 0.79 MAPT (0.46) ALOX5PRKDCAHRMAPTHSD17B10
SCHEMBL16133254 0.78 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL21035455 0.78 ALOX5 (0.64) ALOX5PRKDCPIK3CDPIK3CBGGPS1

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-2020111140-A1 FUSED RING COMPOUND, PRODUCTION METHOD THEREFOR, AND ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL 東ソー株式会社 2020-06-04 WO disclosed