SCHEMBL8097532

SCHEMBL8097532

O=C1NC(c2cccc(I)c2)SC1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GAA P10253 1/20 0.31
EPAS1 Q99814 2/20 0.30
CA2 P00918 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 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
SCHEMBL8089623 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8103216 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097874 0.81 MAPT (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8096856 0.81 TSHR (0.46) ALDH1A1MAPTHPGDTSHR
SCHEMBL8090390 0.81 ALDH1A1 (0.68) ALDH1A1MAPTHPGDTSHRSLC6A2
SCHEMBL8089997 0.78 DDB1 (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8089737 0.78 PBRM1 (0.43) ALDH1A1MAPTHPGDTSHRMGLL
SCHEMBL8099374 0.78 ABCC9 (0.43) ALDH1A1MAPTHPGDTSHR
SCHEMBL8103668 0.78 MAPT (0.46) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8098555 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHR

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