SCHEMBL28349079

SCHEMBL28349079

C=C(C(=O)S)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
PTK2B Q14289 1/20 0.53
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
PTPN1 P18031 1/20 0.50
CDC25B P30305 1/20 0.50
PLK1 P53350 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 1/20 0.46
POLB P06746 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44

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
SCHEMBL23069113 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL35405 0.82 NR4A1 (0.64) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL14977492 0.82 PTK2B (0.53) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL10865795 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL4283090 0.81 PTK2B (0.58) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL1380734 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL31623008 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL29004373 0.79 PTK2B (0.55) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL1573627 0.79 NR4A1 (0.65) NR4A1NR4A2NR4A3L3MBTL1PTK2B
SCHEMBL11480053 0.77 NR4A1 (0.52) NR4A1NR4A2NR4A3L3MBTL1PTK2B

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
CN-106397658-B Benzyl (meth) acrylate monomers suitable for microstructured optical films 3M创新有限公司 2019-12-10 CN disclosed