SCHEMBL6141802

SCHEMBL6141802

O=C(Nc1[c]cccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 9/20 0.60
MMP13 P45452 2/20 0.60
ABL1 P00519 1/20 0.50
HDAC6 Q9UBN7 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
EPHX2 P34913 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL6152695 0.84 MMP12 (0.67) MMP12MMP13ABL1HDAC6IGF2BP2
SCHEMBL6450836 0.83 MMP12 (0.56) MMP12MMP13ABL1HDAC6SCN10A
SCHEMBL6141803 0.82 ABL1 (0.57) MMP12MMP13ABL1SCN10AEPHX2
SCHEMBL6468492 0.78 MMP12 (0.63) MMP12MMP13ABL1HDAC6SCN10A
SCHEMBL6451590 0.77 ABL1 (0.57) MMP12MMP13ABL1SCN10A
SCHEMBL6462719 0.76 MMP12 (0.64) MMP12MMP13ABL1HDAC6EPHX2
SCHEMBL6450492 0.76 MMP12 (0.60) MMP12MMP13ABL1HDAC6SCN10A
SCHEMBL6142212 0.76 MMP12 (0.51) MMP12MMP13HDAC6
SCHEMBL6511171 0.76 MMP12 (0.62) MMP12MMP13ABL1HDAC6IGF2BP2
SCHEMBL6374857 0.75 MMP12 (0.61) MMP12MMP13ABL1HDAC6IGF2BP2

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-1493739-A1 Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
EP-1493739-A1 Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed