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SCHEMBL22766992

SCHEMBL22766992

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccc(-n6c7cc8ccccc8cc7c7ccc8ccccc8c76)cc5c34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL22767165 0.99 PDPK1 (0.32) PDPK1SIRT2SIRT1
SCHEMBL22766998 0.94 CYP1A2 (0.33) PDPK1SIRT2SIRT1KDM4EALDH1A1
SCHEMBL22767002 0.92 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL22766997 0.91 PDPK1 (0.33) PDPK1SIRT2SIRT1KDM4EALDH1A1
SCHEMBL22767099 0.91 PDPK1 (0.31) PDPK1
SCHEMBL22767151 0.90 PDPK1 (0.32) PDPK1SIRT2SIRT1
SCHEMBL22762272 0.89 SIRT2 (0.32) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL22767164 0.88 KDM4E (0.32) SIRT2SIRT1KDM4E
SCHEMBL22762444 0.88 PDPK1 (0.32) PDPK1SIRT2SIRT1
SCHEMBL24153010 0.87 PDPK1 (0.38) PDPK1ALDH1A1MAPTHSD17B10

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-2020246837-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-12-10 — — WO disclosed