SCHEMBL8090625

SCHEMBL8090625

CC(C)NC(=O)OC1(C)SC(c2cccc(C(F)(F)F)c2)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
GUSB P08236 1/20 0.43
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 4/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.36
PABPC1 P11940 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HSD11B1 P28845 1/20 0.35
NOTCH1 P46531 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8090368 0.76 GUSB (0.45) GUSBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8098712 0.76 NPSR1 (0.46) NPSR1GUSBCACNA1FCACNA1DCACNA1S
SCHEMBL8090624 0.70 NPSR1 (0.45) NPSR1CYP1A2CYP2C19LMNAMAPT
SCHEMBL8106100 0.69 NPSR1 (0.43) NPSR1GUSBCACNA1FCACNA1DCACNA1S
SCHEMBL9263779 0.67 GUSB (0.42) NPSR1GUSBCACNA1FCACNA1DCACNA1S
SCHEMBL8090064 0.66 GUSB (0.43) NPSR1GUSBCACNA1FCACNA1DCACNA1S
SCHEMBL8090125 0.65 GUSB (0.44) NPSR1GUSBCACNA1FCACNA1DCACNA1S
SCHEMBL8099407 0.65 GUSB (0.45) GUSBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL12154445 0.64 NPSR1 (1.00) NPSR1CYP1A2CYP2C19LMNAALDH1A1
SCHEMBL8090428 0.63 MAPT (0.40) GUSBLMNAALDH1A1KMT2AMAPT

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed