SCHEMBL6946058

SCHEMBL6946058

COc1ccc(S(=O)(=O)N(CCC(F)(F)F)c2ccccc2C=Cc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.47
NFE2L2 Q16236 9/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SNCA P37840 2/20 0.40
KEAP1 Q14145 7/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CYP1A1 P04798 1/20 0.38

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
SCHEMBL6946053 1.00 MET (0.47) METNFE2L2SMN1; SMN2HPGDKDM4E
SCHEMBL6951516 0.91 MET (0.44) METNFE2L2SMN1; SMN2HPGDKDM4E
SCHEMBL6951509 0.91 MET (0.44) METNFE2L2SMN1; SMN2HPGDKDM4E
SCHEMBL6096893 0.87 SMN1; SMN2 (0.54) METNFE2L2SMN1; SMN2HPGDKDM4E
SCHEMBL6096889 0.87 SMN1; SMN2 (0.54) METNFE2L2SMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL6951842 0.86 MET (0.48) METNFE2L2SMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL6951884 0.86 MET (0.48) METNFE2L2SMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL6951847 0.86 MET (0.48) METNFE2L2SMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL6952311 0.86 MET (0.48) METNFE2L2SMN1; SMN2HPGDKDM4E
Hydrochloric Acid SCHEMBL6952304 0.86 MET (0.48) METNFE2L2SMN1; SMN2HPGDKDM4E

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