SCHEMBL17973376

SCHEMBL17973376

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
HDAC8 Q9BY41 3/20 0.43
HDAC1 Q13547 2/20 0.43
GSK3B P49841 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
OGG1 O15527 1/20 0.37

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
SCHEMBL17973387 0.87 SMN1; SMN2 (0.51) PKMHDAC8HDAC1HAO1MAPT
SCHEMBL17973384 0.87 SMN1; SMN2 (0.51) PKMHDAC8HDAC1HAO1MAPT
SCHEMBL17973386 0.82 MMP2 (0.45) PKMHDAC1GSK3BMAPTALDH1A1
SCHEMBL17973404 0.81 MAPK1 (0.45) PKMMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL10902662 0.80 GSK3B (0.65) PKMGSK3BMAPTALDH1A1KMT2A
SCHEMBL2047499 0.80 PKM (0.47) PKMMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL2047501 0.80 PKM (0.47) PKMMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL17973382 0.76 SMN1; SMN2 (0.64) PKMHDAC8MAPTALDH1A1KMT2A
SCHEMBL17973379 0.75 SMN1; SMN2 (0.48) HDAC8HDAC1MAPTALDH1A1KMT2A
SCHEMBL17973431 0.74 SMN1; SMN2 (0.50) PKMHDAC8HDAC1MAPTALDH1A1

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