SCHEMBL23816320

SCHEMBL23816320

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4cc6ccccc6cc45)c4oc5ccccc5c34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.34
▸ MAPT P10636 9/20 0.34
▸ TSHR P16473 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
SCHEMBL23819556 0.93 PRKDC (0.36) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL25668701 0.91 TERT (0.34) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL24542071 0.88 PRKDC (0.40) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL23816379 0.88 BRDT (0.34) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL22376511 0.87 PRKDC (0.41) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL23822066 0.87 ALOX5 (0.38) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL23822663 0.87 ALOX5 (0.38) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL22375862 0.87 PRKDC (0.39) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL22376075 0.87 PRKDC (0.39) ALOX5MAPTTSHRKMT2APOLB
SCHEMBL23816374 0.86 TDP1 (0.37) ALOX5MAPTTSHRKMT2APOLB

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-2021182834-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-09-16 — — WO disclosed
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