SCHEMBL8099301

SCHEMBL8099301

O=C1CSCN1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
KCNH2 Q12809 3/20 0.46
OPRL1 P41146 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 1/20 0.41
KCNN4 O15554 5/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
DHFR P00374 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MLYCD O95822 1/20 0.38
MCHR1 Q99705 1/20 0.38
XDH P47989 1/20 0.38
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
METAP2 P50579 1/20 0.37

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
SCHEMBL8103729 0.88 PIM1 (0.44) DRD2DRD3KCNH2OPRL1MAPT
SCHEMBL8592552 0.84 MAPT (0.46) OPRL1MAPTPIM1PIM2
SCHEMBL8099334 0.81 MGLL (0.49) DRD2DRD3MAPT
SCHEMBL8098475 0.79 CTSG (0.47) MAPT
SCHEMBL8105974 0.79 MEN1 (0.49) DRD2DRD3KCNH2MAPT
SCHEMBL8099171 0.77 MEN1 (0.51) DRD2DRD3MAPT
SCHEMBL8089666 0.77 DRD2 (0.44) DRD2DRD3KCNH2OPRL1NOTUM
SCHEMBL7607793 0.75 ALDH1A1 (0.55) DRD2DRD3KCNH2OPRL1NOTUM
SCHEMBL8096492 0.75 MAPT (0.64) MAPT
SCHEMBL8098636 0.75 MAPT (0.40) MAPT

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