SCHEMBL24848685

SCHEMBL24848685

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-c2cccc3c2oc2c3ccc3c4ccccc4oc32)c2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
ALOX5 P09917 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14233166 0.97 PRKDC (0.34) PRKDCPIK3CDPIK3CBALOX5TDP1
SCHEMBL22893821 0.92 PIK3CD (0.32) PRKDCPIK3CDPIK3CBALOX5TDP1
SCHEMBL18876964 0.92 PRKDC (0.36) PRKDCPIK3CDPIK3CBALOX5TDP1
SCHEMBL24030344 0.92 ALOX5 (0.32) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL24030347 0.91 ALOX5 (0.31) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL16978585 0.91 PRKDC (0.35) PRKDCPIK3CDPIK3CBALOX5L3MBTL1
SCHEMBL22893689 0.90 ALDH1A1 (0.32) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL22893845 0.90 ALOX5 (0.32) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL14232990 0.89 ALOX5 (0.38) PRKDCPIK3CDPIK3CBALOX5TDP1
SCHEMBL15497619 0.89 ALDH1A1 (0.33) PRKDCPIK3CDPIK3CBALOX5KDM4E

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-2023277446-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-01-05 WO disclosed