SCHEMBL18012755

SCHEMBL18012755

CCCCC1(CCCC)c2cc(/C(C/C(=N/OC(C)=O)c3ccccc3)=N\OC(C)=O)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ESPL1 Q14674 1/20 0.34

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
SCHEMBL18012700 0.91 HDAC3 (0.35) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL29365660 0.86 ESPL1 (0.38) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL16556665 0.86 ESPL1 (0.38) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL18012789 0.84 ATM (0.38) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL16550621 0.84 XDH (0.43) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL16556670 0.84 XDH (0.43) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL17056225 0.83 KMT2A (0.38) KMT2AALDH1A1MAPTHTTLMNA
SCHEMBL18012803 0.83 ESPL1 (0.36) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL18012756 0.82 MEN1 (0.43) KMT2AALDH1A1MAPTHTTGAA
SCHEMBL22497434 0.81 MAPT (0.46) KMT2AALDH1A1MAPTGAASMN1; 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-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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