SCHEMBL6152695

SCHEMBL6152695

O=C(Nc1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.67
MMP13 P45452 1/20 0.67
ABL1 P00519 2/20 0.62
HDAC6 Q9UBN7 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.47
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IGF2BP2 Q9Y6M1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL6141803 0.88 ABL1 (0.57) MMP12MMP13ABL1SCN10AEPHX2
SCHEMBL6451590 0.88 ABL1 (0.57) MMP12MMP13ABL1SCN10AMAPT
SCHEMBL6463245 0.87 MMP12 (0.56) MMP12MMP13ABL1SCN10AEPHX2
SCHEMBL6450855 0.85 MMP12 (0.55) MMP12MMP13ABL1SCN10AEPHX2
SCHEMBL6450834 0.85 ABL1 (0.54) MMP12MMP13ABL1SCN10AEPHX2
SCHEMBL6141802 0.84 MMP12 (0.60) MMP12MMP13ABL1HDAC6SCN10A
SCHEMBL6462719 0.82 MMP12 (0.64) MMP12MMP13ABL1HDAC6EPHX2
SCHEMBL6468492 0.82 MMP12 (0.63) MMP12MMP13ABL1HDAC6SCN10A
SCHEMBL6374857 0.82 MMP12 (0.61) MMP12MMP13ABL1HDAC6IGF2BP2
SCHEMBL6511171 0.81 MMP12 (0.62) MMP12MMP13ABL1HDAC6SCN10A

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 1 patent. 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 disclosed