SCHEMBL8097561

SCHEMBL8097561

O=C(NCc1ccccc1)OC1SC(c2cccc(C(F)(F)F)c2)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK14 Q16539 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL8090605 0.87 GUSB (0.42) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8098504 0.85 KMT2A (0.45) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8090125 0.83 GUSB (0.44) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8090428 0.82 MAPT (0.40) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8090064 0.82 GUSB (0.43) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8098712 0.81 NPSR1 (0.46) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8106106 0.79 EPHX2 (0.47) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8099407 0.78 GUSB (0.45) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8792372 0.78 ALDH1A1 (0.41) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8106100 0.74 NPSR1 (0.43) LMNAALDH1A1MAPTSMN1; SMN2HTT

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