SCHEMBL8745941

SCHEMBL8745941

OC(c1cncs1)c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.37
SLC6A3 Q01959 3/20 0.35
CNR2 P34972 2/20 0.34
P2RX7 Q99572 1/20 0.33
IDO1 P14902 1/20 0.33
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
HDAC4 P56524 1/20 0.32
SCD O00767 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL28752726 0.76 CFTR (0.37) SLC6A3IDO1HDAC4TSHROPRM1
SCHEMBL9776265 0.76 ACP3 (0.50) ACP3CNR2P2RX7IDO1GRIN2D
SCHEMBL30903830 0.76 ACP3 (0.50) ACP3CNR2P2RX7IDO1GRIN2D
SCHEMBL8745971 0.74 HDAC4 (0.33) ACP3SLC6A3CNR2HDAC4HSD11B1
SCHEMBL8745914 0.73 ACP3 (0.43) ACP3CNR2IDO1GRIN2DGRIN3B
SCHEMBL8633394 0.72 SMN1; SMN2 (0.48) SLC6A3IDO1TSHR
SCHEMBL12317610 0.71 ACP3 (0.44) ACP3SLC6A3CNR2SCDALDH1A1
SCHEMBL8745920 0.70 PIEZO1 (0.38) ACP3CNR2CYP3A4
SCHEMBL3294921 0.70 ACP3 (0.57) ACP3CNR2IDO1GRIN2DGRIN3B
SCHEMBL3289370 0.70 ACP3 (0.57) ACP3CNR2IDO1GRIN2DGRIN3B

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
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed