SCHEMBL6451885

SCHEMBL6451885

O=C(O)Cc1ccc(CNC(=O)c2cc(Br)cs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.68
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RORC P51449 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL425495 0.87 MMP12 (0.58) MMP12ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL6450604 0.86 NR1H4 (0.52) MMP12ALDH1A1LMNAEPHX2NR1H4
SCHEMBL6451966 0.83 KMT2A (0.62) MMP12ALDH1A1LMNANR1H4SMN1; SMN2
SCHEMBL6882993 0.82 MMP12 (0.48) MMP12ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6880697 0.77 MMP12 (0.78) MMP12ALDH1A1LMNAEPHX2NR1H4
SCHEMBL6667189 0.77 HTT (0.52) MMP12ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL6874960 0.76 MMP12 (0.77) MMP12ALDH1A1LMNAEPHX2NR1H4
SCHEMBL8342537 0.76 MMP12 (0.77) MMP12ALDH1A1LMNAEPHX2NR1H4
SCHEMBL8341227 0.76 MMP12 (0.77) MMP12ALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL6874687 0.76 MMP12 (0.83) MMP12LMNAEPHX2SMN1; SMN2HPGD

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 disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed