SCHEMBL22159515

SCHEMBL22159515

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4sc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.41
▸ PRKDC P78527 6/20 0.37
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ PARP14 Q460N5 1/20 0.34
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL22159533 0.97 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22161243 0.97 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23313889 0.96 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23313494 0.96 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23313903 0.96 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23313628 0.96 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL23313807 0.96 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL22161223 0.96 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL15964415 0.96 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL12283703 0.96 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBBRD4

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-2020130327-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-06-25 — — WO disclosed
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