SCHEMBL8103620

SCHEMBL8103620

O=C1CSC(c2cccc(S(F)(F)(F)(F)F)c2)N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.35
MYB P10242 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KIF11 P52732 1/20 0.30
AKR1C3 P42330 2/20 0.30
AKR1C2 P52895 2/20 0.30

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
SCHEMBL8099174 0.80 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8089821 0.77 GFER (0.56) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8089772 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8089828 0.77 SMN1; SMN2 (0.54) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8096935 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1KDM1A
SCHEMBL8098930 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL5450446 0.76 SMN1; SMN2 (0.59) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8103930 0.73 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8090311 0.73 GFER (0.63) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8104985 0.73 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed