SCHEMBL6450836

SCHEMBL6450836

O=C(NCc1[c]cccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.56
MMP13 P45452 2/20 0.56
ABL1 P00519 1/20 0.47
MAPK1 P28482 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK14 Q16539 1/20 0.39
ULK1 O75385 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
SCN2A Q99250 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
SCHEMBL6462719 0.84 MMP12 (0.64) MMP12MMP13ABL1MAPK1ROCK2
SCHEMBL6141802 0.83 MMP12 (0.60) MMP12MMP13ABL1HDAC6SCN10A
SCHEMBL6152695 0.78 MMP12 (0.67) MMP12MMP13ABL1MAPK1HDAC6
SCHEMBL6450864 0.78 MMP12 (0.62) MMP12MMP13ABL1MAPK1MMP2
SCHEMBL6456507 0.77 MMP12 (0.72) MMP12MMP13ABL1MAPK1ROCK2
SCHEMBL6663858 0.77 MMP12 (0.59) MMP12MMP13ABL1MAPK1ROCK2
SCHEMBL6456642 0.77 MMP12 (0.56) MMP12MMP13ABL1MAPK1ROCK2
SCHEMBL6458023 0.77 MMP12 (0.56) MMP12MMP13ABL1MAPK1ROCK2
SCHEMBL6450465 0.77 MMP12 (0.62) MMP12MMP13ABL1MAPK1ROCK2
SCHEMBL6141803 0.76 ABL1 (0.57) MMP12MMP13ABL1SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO claimed