SCHEMBL8089623

SCHEMBL8089623

O=C1NC(c2cccc(I)c2)SC1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MPI P34949 1/20 0.31
EPAS1 Q99814 2/20 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
SCHEMBL8097655 0.83 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8097532 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8096940 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL8090455 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8099399 0.78 MAPT (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8096948 0.78 PBRM1 (0.46) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL8089861 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8103622 0.78 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097219 0.77 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8089669 0.76 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHRMPI

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