SCHEMBL8090125

SCHEMBL8090125

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.44
LMNA P02545 4/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
PBRM1 Q86U86 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8090064 0.89 GUSB (0.43) GUSBLMNARECQLALDH1A1MAPT
SCHEMBL8090605 0.88 GUSB (0.42) GUSBLMNARECQLALDH1A1MAPT
SCHEMBL8098712 0.88 NPSR1 (0.46) GUSBLMNARECQLALDH1A1MAPT
SCHEMBL8098504 0.86 KMT2A (0.45) GUSBLMNAALDH1A1MAPTKMT2A
SCHEMBL8099407 0.86 GUSB (0.45) GUSBLMNARECQLALDH1A1MAPT
SCHEMBL8106106 0.84 EPHX2 (0.47) GUSBLMNAALDH1A1MAPTKMT2A
SCHEMBL8097561 0.83 LMNA (0.44) LMNAALDH1A1MAPTKMT2APOLB
SCHEMBL8090428 0.83 MAPT (0.40) GUSBLMNAALDH1A1MAPTKMT2A
SCHEMBL8792372 0.83 ALDH1A1 (0.41) GUSBLMNARECQLALDH1A1MAPT
SCHEMBL8106100 0.81 NPSR1 (0.43) GUSBLMNARECQLALDH1A1MAPT

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