SCHEMBL7199685

SCHEMBL7199685

CCC/C(=N\O)c1ccc(Sc2ccc(/C(CCC)=N/OC(C)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.34
THRB P10828 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HSD17B3 P37058 1/20 0.31
PTGIR P43119 1/20 0.31

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
SCHEMBL7199687 1.00 PKM (0.43) PKMHPGDL3MBTL1LMNAALDH1A1
SCHEMBL9110697 0.89 HPGD (0.50) PKMHPGDL3MBTL1LMNAALDH1A1
SCHEMBL4415892 0.86 HSD17B3 (0.41) PKMHPGDL3MBTL1LMNAALDH1A1
SCHEMBL4415896 0.86 HSD17B3 (0.41) PKMHPGDL3MBTL1LMNAALDH1A1
SCHEMBL1476583 0.85 PKM (0.46) PKML3MBTL1LMNAALDH1A1KDM4E
SCHEMBL618280 0.85 PKM (0.46) PKML3MBTL1LMNAALDH1A1KDM4E
SCHEMBL7197778 0.84 LMNA (0.41) HPGDL3MBTL1LMNAALDH1A1KDM4E
SCHEMBL7197777 0.84 LMNA (0.41) HPGDL3MBTL1LMNAALDH1A1KDM4E
SCHEMBL9112717 0.80 ALDH1A1 (0.46) PKMHPGDL3MBTL1LMNAALDH1A1
SCHEMBL13640114 0.79 MAPT (0.47) PKMHPGDL3MBTL1LMNAALDH1A1

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
US-6596445-B1 Initiators for photopolymerization of radically polymerizable compounds CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 US disclosed