SCHEMBL8102985

SCHEMBL8102985

CC(O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
MMP2 P08253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL19708735 0.86 CA12 (0.55) CA12CA1MMP2L3MBTL1ALDH1A1
SCHEMBL633235 0.85 CA12 (0.58) CA12CA1MMP2L3MBTL1ALDH1A1
SCHEMBL23095469 0.84 HDAC8 (0.46) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL20310475 0.82 CA12 (0.59) CA12CA1MMP2L3MBTL1ALDH1A1
SCHEMBL10702718 0.81 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL18838552 0.80 SMN1; SMN2 (0.70) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL29446980 0.80 SMN1; SMN2 (0.70) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL837824 0.80 SMN1; SMN2 (0.70) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL11172206 0.79 IDH2 (0.52) CA12CA1MMP2L3MBTL1ALDH1A1
SCHEMBL18784087 0.79 CA12 (0.53) CA12CA1MMP2L3MBTL1ALDH1A1

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed