SCHEMBL23819611

SCHEMBL23819611

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7c6sc6ccc8ccccc8c67)cccc5c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ ABCG2 Q9UNQ0 3/20 0.33
▸ POLB P06746 2/20 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
SCHEMBL23816374 0.93 TDP1 (0.37) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL25668702 0.89 TDP1 (0.38) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL23819372 0.88 CYP1A1 (0.37) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL23819368 0.88 CYP1A1 (0.38) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL24217160 0.88 PRKDC (0.45) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL25458971 0.87 LIMK1 (0.37) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL24216050 0.87 PRKDC (0.44) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL21425112 0.86 PRKDC (0.41) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL23819512 0.86 MAPT (0.43) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL23819556 0.86 PRKDC (0.36) MAPTALDH1A1TSHRKDM4EHPGD

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-2021182833-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-09-16 — — WO disclosed
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