SCHEMBL8096856

SCHEMBL8096856

O=C1NC(c2cccc(Br)c2)SC1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
HDAC4 P56524 1/20 0.37
KDM1A O60341 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8090390 0.81 ALDH1A1 (0.68) TSHRALDH1A1HPGDMAPTKMT2A
SCHEMBL8103216 0.81 ALDH1A1 (0.46) TSHRALDH1A1HPGDMAPTKMT2A
SCHEMBL8090455 0.81 ALDH1A1 (0.49) TSHRALDH1A1HPGDMAPTKMT2A
SCHEMBL8097532 0.81 ALDH1A1 (0.46) TSHRALDH1A1HPGDMAPT
SCHEMBL8097874 0.81 MAPT (0.49) TSHRALDH1A1HPGDMAPTKMT2A
SCHEMBL8089997 0.78 DDB1 (0.49) TSHRALDH1A1HPGDMAPTKMT2A
SCHEMBL8103668 0.78 MAPT (0.46) TSHRALDH1A1HPGDMAPTKMT2A
SCHEMBL8089737 0.78 PBRM1 (0.43) TSHRALDH1A1HPGDMAPTKDM1A
SCHEMBL8099374 0.78 ABCC9 (0.43) TSHRALDH1A1HPGDMAPTDDB1
SCHEMBL8098555 0.78 ALDH1A1 (0.43) TSHRALDH1A1HPGDMAPTKDM1A

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