SCHEMBL8096918

SCHEMBL8096918

CC(C)(C)NC(=O)OC1SC(c2cccc(Br)c2)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.33
F2RL1 P55085 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.32
RECQL P46063 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM1A O60341 1/20 0.31
TP53BP1 Q12888 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 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
SCHEMBL8097598 0.88 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL8097385 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHPGDSLC6A4
SCHEMBL8098673 0.87 ALDH1A1 (0.54) ALDH1A1TSHRMAPTHPGDHTT
SCHEMBL8099152 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL8098463 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHPGD
SCHEMBL8097010 0.86 HPGD (0.37) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL8097643 0.85 MAPT (0.36) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL8097587 0.84 ALDH1A1 (0.39) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL8103590 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHPGD
SCHEMBL8099202 0.84 L3MBTL1 (0.38) ALDH1A1TSHRMAPTHPGDLMNA

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