SCHEMBL8089772

SCHEMBL8089772

O=C1CSC(c2cccc(I)c2)N1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
EPAS1 Q99814 5/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL8096935 0.81 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8089821 0.81 GFER (0.56) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8089828 0.81 SMN1; SMN2 (0.54) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8099174 0.81 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL5450446 0.79 SMN1; SMN2 (0.59) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8103620 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8098930 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8090311 0.77 GFER (0.63) GFERSMN1; SMN2GAAL3MBTL1DDB1
SCHEMBL8103930 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8104985 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1DDB1

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