SCHEMBL15046334

SCHEMBL15046334

CC1(C)c2cc(-c3ccc4cc(/C=C/c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)ccc4c3)ccc2-c2cc3c(cc21)N(c1ccc2ccccc2c1)c1ccccc1C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.33
▸ 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
▸ NQO2 P16083 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
SCHEMBL15046356 0.96 RELA (0.33) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046359 0.96 RELA (0.33) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046201 0.96 RELA (0.33) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046335 0.96 RELA (0.33) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046265 0.95 RELA (0.34) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046256 0.95 RELA (0.34) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046323 0.94 ALDH1A1 (0.33) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046257 0.94 PDK2 (0.32) RELA
SCHEMBL15046386 0.94 RELA (0.35) RELAALDH1A1MAPTGLASMN1; SMN2
SCHEMBL15046360 0.94 RELA (0.33) RELAALDH1A1MAPTGLASMN1; SMN2

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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