SCHEMBL15046268

SCHEMBL15046268

CC1(C)c2cc(-c3ccc(/C=C/c4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6N7c6ccccc6)ccc5c4)cc3)ccc2-c2cc3c(cc21)N(c1ccccc1)c1ccccc1C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.33
▸ PDK2 Q15119 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL15046274 1.00 RELA (0.33) RELAPDK2ALDH1A1GLAMAPT
SCHEMBL15046257 0.96 PDK2 (0.32) RELAPDK2
SCHEMBL15046357 0.94 PDK2 (0.36) PDK2
SCHEMBL15046263 0.93 PDK2 (0.36) PDK2MAPT
SCHEMBL15046201 0.93 RELA (0.33) RELAPDK2ALDH1A1GLAMAPT
SCHEMBL15046359 0.93 RELA (0.33) RELAPDK2ALDH1A1GLAMAPT
SCHEMBL15046356 0.93 RELA (0.33) RELAPDK2ALDH1A1GLAMAPT
SCHEMBL15046334 0.93 RELA (0.33) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL15046253 0.92 NR1H2 (0.36) PDK2
SCHEMBL15046416 0.92 NR1H2 (0.36) PDK2

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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