SCHEMBL18012634

SCHEMBL18012634

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ESPL1 Q14674 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ POLB P06746 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL29365660 0.86 ESPL1 (0.38) MAPTSMN1; SMN2TDP1MAPK1ESPL1
SCHEMBL16556665 0.86 ESPL1 (0.38) MAPTSMN1; SMN2TDP1MAPK1ESPL1
SCHEMBL18012812 0.85 — —
SCHEMBL18012803 0.83 ESPL1 (0.36) MAPTSMN1; SMN2TDP1MAPK1ESPL1
SCHEMBL18012788 0.83 ALK (0.31) —
SCHEMBL18012700 0.82 HDAC3 (0.35) MAPTSMN1; SMN2TDP1MAPK1ESPL1
SCHEMBL18012755 0.80 KMT2A (0.39) MAPTSMN1; SMN2ESPL1HTTLMNA
SCHEMBL17084332 0.80 MAPT (0.38) MAPTTDP1MAPK1HTTLMNA
SCHEMBL17084321 0.80 MAPT (0.36) MAPTTDP1MAPK1ESPL1HTT
SCHEMBL18122989 0.80 MAPT (0.36) MAPTTDP1MAPK1ESPL1HTT

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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