SCHEMBL15046386

SCHEMBL15046386

CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)N(c1ccccc1)c1ccccc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ NQO2 P16083 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ PGR P06401 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
SCHEMBL15046282 0.99 RELA (0.35) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046439 0.96 MAPT (0.35) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046356 0.94 RELA (0.33) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046334 0.94 RELA (0.33) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046359 0.94 RELA (0.33) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046201 0.94 RELA (0.33) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046265 0.93 RELA (0.34) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046256 0.93 RELA (0.34) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046323 0.92 ALDH1A1 (0.33) RELAALDH1A1KMT2AMAPTKDM4E
SCHEMBL15046391 0.92 RELA (0.41) RELAALDH1A1KMT2AMAPTKDM4E

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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