SCHEMBL17973386

SCHEMBL17973386

CC(=O)O/N=C(/C/C(C)=N/OC(C)=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.45
MMP3 P08254 5/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARA Q07869 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
XDH P47989 1/20 0.38
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL17973384 0.83 SMN1; SMN2 (0.51) ALDH1A1MAPTHDAC1PKML3MBTL1
SCHEMBL17973387 0.83 SMN1; SMN2 (0.51) ALDH1A1MAPTHDAC1PKML3MBTL1
SCHEMBL17973376 0.82 PKM (0.45) ALDH1A1MAPTHDAC1PKML3MBTL1
SCHEMBL17973404 0.78 MAPK1 (0.45) ALDH1A1MAPTPKM
SCHEMBL2047501 0.77 PKM (0.47) ALDH1A1MAPTPKMTDP1L3MBTL1
SCHEMBL2047499 0.77 PKM (0.47) ALDH1A1MAPTPKMTDP1L3MBTL1
SCHEMBL17257448 0.75 NPC1 (0.50) ALDH1A1MAPTPKMTDP1L3MBTL1
SCHEMBL17257396 0.75 NPC1 (0.50) ALDH1A1MAPTPKMTDP1L3MBTL1
SCHEMBL17973466 0.75 MMP3 (0.42) MMP2MMP3MMP1MMP9MMP13
SCHEMBL17973382 0.73 SMN1; SMN2 (0.64) ALDH1A1MAPTPKMKDM4E

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-2016122160-A1 NOVEL DIOXIMESTER COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 주식회사 삼양사 2016-08-04 WO disclosed