SCHEMBL21784287

SCHEMBL21784287

c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.44
▸ PRKDC P78527 11/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ PIK3CB P42338 3/20 0.43
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ PARP14 Q460N5 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL25627044 0.99 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL25627041 0.99 PRKDC (0.43) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL25458355 0.96 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL23975323 0.96 PRKDC (0.44) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL23349897 0.95 PRKDC (0.47) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL21784284 0.94 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL20739805 0.94 PRKDC (0.47) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL18216716 0.94 PRKDC (0.48) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL24216204 0.93 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBPIK3CA
SCHEMBL21261116 0.93 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBPIK3CA

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-2020045822-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 두산솔루스 주식회사 2020-03-05 — — WO disclosed
Send feedback