SCHEMBL22135401

SCHEMBL22135401

c1ccc2c(c1)oc1cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4c(-c6ccc7c(c6)oc6ccccc67)cccc45)n3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.61
▸ PRKDC P78527 5/20 0.53
▸ GGPS1 O95749 1/20 0.45
▸ AHR P35869 3/20 0.42
▸ PTGES2 Q9H7Z7 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ HCRTR1 O43613 1/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL22240640 0.96 ALOX5 (0.57) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL24215960 0.96 ALOX5 (0.57) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL21926222 0.96 ALOX5 (0.57) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL22135390 0.96 ALOX5 (0.57) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL22760433 0.95 ALOX5 (0.56) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL24097553 0.95 ALOX5 (0.56) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL23228133 0.95 ALOX5 (0.56) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL23913218 0.95 ALOX5 (0.56) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL21117065 0.94 ALOX5 (0.55) ALOX5PRKDCGGPS1AHRPTGES2
SCHEMBL23349738 0.93 ALOX5 (0.54) ALOX5PRKDCGGPS1AHRPTGES2

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-2020130509-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
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