SCHEMBL30747823

SCHEMBL30747823

Brc1cccc2cccc(-c3cccc4c3oc3ccccc34)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.50
▸ PRKDC P78527 4/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ ATM Q13315 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CDC14B O60729 1/20 0.38
▸ CDC14A Q9UNH5 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ GGPS1 O95749 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL19651721 1.00 ALOX5 (0.50) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL25675174 0.86 ALOX5 (0.51) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL30106240 0.85 ALOX5 (0.57) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL3048381 0.85 ALOX5 (0.57) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL14476686 0.83 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL20033110 0.83 MAOA (0.42) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL19585040 0.83 ALOX5 (0.55) ALOX5PRKDCPIK3CDPIK3CBATM
SCHEMBL10945864 0.81 ALOX5 (0.68) ALOX5PRKDCPIK3CDPIK3CBMAOA
SCHEMBL23347112 0.80 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL19651715 0.80 ALOX5 (0.58) ALOX5PRKDCPIK3CDPIK3CBMAOA

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
CN-117551065-A Naphthalene-substituted anthracene compound 阜阳欣奕华材料科技有限公司 2024-02-13 — — CN disclosed
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