SCHEMBL8089828

SCHEMBL8089828

O=C1CSC(c2cccc(Cl)c2)N1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
GFER P55789 1/20 0.52
GAA P10253 2/20 0.46
MDM2 Q00987 3/20 0.46
TP53 P04637 1/20 0.46
SLC6A3 Q01959 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8089821 0.81 GFER (0.56) SMN1; SMN2GFERGAAL3MBTL1MEN1
SCHEMBL8099174 0.81 GFER (0.52) SMN1; SMN2ALDH1A1GFERGAAL3MBTL1
SCHEMBL8096935 0.81 GFER (0.52) SMN1; SMN2ALDH1A1HPGDTSHRGFER
SCHEMBL8089772 0.81 GFER (0.52) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL6686421 0.81 GFER (0.47) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL27379404 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1TSHRGFER
SCHEMBL5450446 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL8103620 0.77 GFER (0.49) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL8103930 0.77 GFER (0.52) SMN1; SMN2MAPTALDH1A1HPGDTSHR
SCHEMBL8098930 0.77 GFER (0.49) SMN1; SMN2ALDH1A1GFERGAAL3MBTL1

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