SCHEMBL20932508

SCHEMBL20932508

CC1(C)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2cccc(-c4cccs4)c2)cc1O3

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.43
▸ LPL P06858 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PGR P06401 2/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ SLC6A11 P48066 1/20 0.33
▸ HDAC1 Q13547 3/20 0.31
▸ HDAC2 Q92769 3/20 0.31
▸ HDAC3 O15379 2/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 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
SCHEMBL20931574 0.95 PDK2 (0.42) PDK2LPLLIPGADORA1KCNH2
SCHEMBL20932051 0.89 PDK2 (0.39) PDK2LPLLIPGADORA1KCNH2
SCHEMBL20932542 0.88 PDK2 (0.40) PDK2LPLLIPGADORA1KCNH2
SCHEMBL12306540 0.84 PDK2 (0.58) PDK2LPLLIPGADORA1KCNH2
SCHEMBL20932507 0.83 PDK2 (0.41) PDK2KCNH2PRMT6
SCHEMBL20931913 0.81 NR3C1 (0.37) PDK2LPLLIPGALOX5PTGS1
SCHEMBL20932143 0.80 PDK2 (0.40) PDK2LPLLIPGKCNH2PGR
SCHEMBL20931638 0.80 MEN1 (0.34) PDK2ADORA1KDM4EMAPT
SCHEMBL20932116 0.80 ELANE (0.34) PDK2
SCHEMBL20931843 0.80 MEN1 (0.34) PDK2ADORA1KDM4EMAPT

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-2019078462-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed
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