SCHEMBL19136704

SCHEMBL19136704

CCOC(=O)/C(C#N)=C1/C/C(=C(/C#N)C(=O)OCC)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 9/20 0.50
MAPT P10636 6/20 0.50
NPSR1 Q6W5P4 4/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 5/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL19136711 0.86 MAPT (0.47) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL19136712 0.86 MAPT (0.47) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL19179147 0.86 MAPT (0.47) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL11070467 0.83 MAPK1 (0.51) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5369170 0.83 MAPK1 (0.51) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5369169 0.83 MAPK1 (0.51) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL15101180 0.81 MAPK1 (0.49) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL11669656 0.80 MAPK1 (0.50) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL10623289 0.80 MAPK1 (0.48) MAPK1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL11669664 0.80 MAPK1 (0.50) MAPK1RAB9AL3MBTL1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209373-A1 MULTIFUNCTIONAL POLYMERIC NANOPARTICLE FOR DIAGNOSIS OR TREATMENT OF CEREBRAL DISEASES AND A PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-07-27 US disclosed
US-20170209373-A1 MULTIFUNCTIONAL POLYMERIC NANOPARTICLE FOR DIAGNOSIS OR TREATMENT OF CEREBRAL DISEASES AND A PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-07-27 US disclosed