SCHEMBL6947810

SCHEMBL6947810

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.59
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
BDKRB1 P46663 1/20 0.56
KEAP1 Q14145 2/20 0.54
SQSTM1 Q13501 1/20 0.52
NFE2L2 Q16236 1/20 0.52
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50

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
SCHEMBL6947815 1.00 CCR9 (0.59) CCR9LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6359170 0.81 MEN1 (0.68) CCR9LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8626468 0.80 SMN1; SMN2 (0.69) CCR9LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6942459 0.80 SNCA (0.54) CCR9LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6942450 0.80 SNCA (0.54) CCR9LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27526755 0.79 MEN1 (0.40) CCR9LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2477690 0.77 LMNA (0.70) LMNASMN1; SMN2L3MBTL1ALDH1A1TP53
SCHEMBL30486834 0.77 LMNA (0.70) LMNASMN1; SMN2L3MBTL1ALDH1A1TP53
SCHEMBL5158052 0.77 LMNA (0.79) LMNASMN1; SMN2L3MBTL1ALDH1A1TP53
SCHEMBL8625109 0.77 TUBB4A (0.73) LMNASMN1; SMN2L3MBTL1ALDH1A1TP53

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