SCHEMBL6942450

SCHEMBL6942450

COc1ccc(S(=O)(=O)Nc2ccccc2/C=C(\C)c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.54
KEAP1 Q14145 3/20 0.52
CCR9 P51686 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NFE2L2 Q16236 2/20 0.50
SQSTM1 Q13501 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48

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
SCHEMBL6942459 1.00 SNCA (0.54) SNCAKEAP1CCR9SMN1; SMN2L3MBTL1
SCHEMBL6949415 0.86 CCR9 (0.52) SNCAKEAP1CCR9SMN1; SMN2L3MBTL1
SCHEMBL6949416 0.86 CCR9 (0.52) SNCAKEAP1CCR9SMN1; SMN2L3MBTL1
SCHEMBL6950473 0.85 SNCA (0.50) SNCAKEAP1CCR9SMN1; SMN2L3MBTL1
SCHEMBL6950479 0.85 SNCA (0.50) SNCAKEAP1CCR9SMN1; SMN2L3MBTL1
SCHEMBL5175628 0.81 SNCA (0.78) SNCAKEAP1SMN1; SMN2NFE2L2SQSTM1
SCHEMBL5175631 0.81 SNCA (0.78) SNCAKEAP1SMN1; SMN2NFE2L2SQSTM1
SCHEMBL6947815 0.80 CCR9 (0.59) KEAP1CCR9SMN1; SMN2L3MBTL1NFE2L2
Hydrochloric Acid SCHEMBL6949852 0.80 SNCA (0.76) SNCAKEAP1SMN1; SMN2NFE2L2SQSTM1
SCHEMBL6947810 0.80 CCR9 (0.59) KEAP1CCR9SMN1; SMN2L3MBTL1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754682-B9 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2003-09-17 EP disclosed
EP-0754682-B1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2001-10-17 EP disclosed
US-5972976-A FOR TREATMENT OF VARIOUS MALIGNANT TUMORS; (E)-4-(2-(2-(N-acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine-1-oxide for example NIPPON SHINYAKU COMPANY, LIMITED 1999-10-26 US disclosed
EP-0754682-A1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-01-22 EP disclosed