SCHEMBL6949415

SCHEMBL6949415

COC(=O)/C(=C/c1ccccc1NS(=O)(=O)c1ccc(OC)cc1)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.52
SNCA P37840 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 2/20 0.47
SQSTM1 Q13501 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ELANE P08246 1/20 0.46
PRTN3 P24158 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46

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
SCHEMBL6949416 1.00 CCR9 (0.52) CCR9SNCASMN1; SMN2L3MBTL1KEAP1
SCHEMBL6942450 0.86 SNCA (0.54) CCR9SNCASMN1; SMN2L3MBTL1KEAP1
SCHEMBL6942459 0.86 SNCA (0.54) CCR9SNCASMN1; SMN2L3MBTL1KEAP1
SCHEMBL6950473 0.82 SNCA (0.50) CCR9SNCASMN1; SMN2L3MBTL1KEAP1
SCHEMBL6950479 0.82 SNCA (0.50) CCR9SNCASMN1; SMN2L3MBTL1KEAP1
SCHEMBL27365406 0.82 SNCA (0.43) CCR9SNCASMN1; SMN2L3MBTL1LMNA
SCHEMBL5175628 0.78 SNCA (0.78) SNCASMN1; SMN2KEAP1NFE2L2SQSTM1
SCHEMBL8626468 0.78 SMN1; SMN2 (0.69) CCR9SNCASMN1; SMN2L3MBTL1KEAP1
SCHEMBL5175631 0.78 SNCA (0.78) SNCASMN1; SMN2KEAP1NFE2L2SQSTM1
Hydrochloric Acid SCHEMBL6949852 0.77 SNCA (0.76) SNCASMN1; SMN2KEAP1NFE2L2SQSTM1

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