SCHEMBL23311576

SCHEMBL23311576

c1ccc2c(c1)oc1c(-c3nc(-c4ccc(C56C[C@H]7CC8C[C@@H](C5)C87C6)cc4)nc(-c4ccc(C56CC7C[C@H](C5)C[C@@H](C7)C6)cc4)n3)cccc1c1ccccc1c1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL26272359 0.90 ALOX5 (0.41) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26271566 0.89 ALOX5 (0.40) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26271532 0.89 ALOX5 (0.43) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL23311535 0.87 ALOX5 (0.39) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26271534 0.86 ALOX5 (0.39) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26272596 0.85 ALOX5 (0.37) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26271495 0.85 ALOX5 (0.40) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26272255 0.85 HTT (0.42) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26271769 0.85 ALOX5 (0.39) ALOX5HTTTSHRNPC1RAB9A
SCHEMBL26272246 0.84 HTT (0.43) ALOX5HTTTSHRNPC1RAB9A

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-2021080253-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-04-29 — — WO disclosed
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