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SCHEMBL15046201

SCHEMBL15046201

CC1(C)c2cc(-c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccc5ccccc5c4)cc3)ccc2-c2cc3c(cc21)N(c1ccccc1)c1ccccc1C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.33
▸ PDK2 Q15119 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15046359 1.00 RELA (0.33) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046356 1.00 RELA (0.33) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046265 0.99 RELA (0.34) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046256 0.99 RELA (0.34) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046360 0.97 RELA (0.33) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046334 0.96 RELA (0.33) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046267 0.96 RELA (0.33) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046323 0.94 ALDH1A1 (0.33) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046386 0.94 RELA (0.35) RELAPDK2ALDH1A1MAPTGLA
SCHEMBL15046282 0.93 RELA (0.35) RELAPDK2ALDH1A1MAPTGLA

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-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
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