SCHEMBL28668404

SCHEMBL28668404

Brc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
TNKS O95271 1/20 0.44
PRKDC P78527 5/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
GGPS1 O95749 1/20 0.39
MAOB P27338 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 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
SCHEMBL75946 0.92 ALOX5 (0.60) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL29403504 0.92 ALOX5 (0.60) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL21431985 0.91 ALOX5 (0.56) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL74773 0.90 ALOX5 (0.59) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL26750759 0.87 ALOX5 (0.59) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL17974232 0.85 ALOX5 (0.69) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL22733362 0.84 ALOX5 (0.54) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL26750987 0.84 ALOX5 (0.54) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL9917185 0.84 ALOX5 (0.54) ALOX5TNKSPRKDCPIK3CDPIK3CB
SCHEMBL24941435 0.84 ALOX5 (0.49) ALOX5TNKSPRKDCPIK3CDPIK3CB

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-113861041-A Compound and application thereof 北京鼎材科技有限公司 2021-12-31 CN disclosed