SCHEMBL18012700

SCHEMBL18012700

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ ESPL1 Q14674 1/20 0.35
▸ MAPT P10636 6/20 0.35
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ ALOX12 P18054 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18012755 0.91 KMT2A (0.39) HDAC3HDAC1HDAC2ESPL1MAPT
SCHEMBL29365660 0.88 ESPL1 (0.38) HDAC3HDAC1HDAC2ESPL1MAPT
SCHEMBL16556665 0.88 ESPL1 (0.38) HDAC3HDAC1HDAC2ESPL1MAPT
SCHEMBL18012789 0.86 ATM (0.38) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL18012790 0.85 MEN1 (0.32) MAPTGAAHTTSMN1; SMN2NPSR1
SCHEMBL18012803 0.85 ESPL1 (0.36) HDAC3HDAC1HDAC2ESPL1MAPT
SCHEMBL18012701 0.85 OGG1 (0.34) HDAC3HDAC1HDAC2MAPTALDH1A1
SCHEMBL18012752 0.84 ESPL1 (0.38) HDAC3HDAC1HDAC2ESPL1MAPT
SCHEMBL31747787 0.83 MAPT (0.46) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL22497434 0.83 MAPT (0.46) MAPTALDH1A1GAASMN1; SMN2KMT2A

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
Send feedback