SCHEMBL8103729

SCHEMBL8103729

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MAPT P10636 3/20 0.39
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
KCNH2 Q12809 3/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OPRL1 P41146 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 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
SCHEMBL8099301 0.88 DRD2 (0.46) PIM1PIM2MAPTDRD2DRD3
SCHEMBL8097093 0.79 PIM1 (0.41) PIM1PIM2MAPTHCRTR1HCRTR2
SCHEMBL8099334 0.77 MGLL (0.49) MAPTDRD2DRD3
SCHEMBL8105974 0.76 MEN1 (0.49) MAPTDRD2DRD3KCNH2ALDH1A1
SCHEMBL8098475 0.76 CTSG (0.47) MAPTALDH1A1FGFR1
SCHEMBL8090575 0.76 PIM1 (0.41) PIM1PIM2MAPTHCRTR1HCRTR2
SCHEMBL8099171 0.74 MEN1 (0.51) MAPTDRD2DRD3ALDH1A1
SCHEMBL8096492 0.72 MAPT (0.64) MAPTALDH1A1
SCHEMBL8098636 0.72 MAPT (0.40) MAPTALDH1A1
SCHEMBL8592552 0.72 MAPT (0.46) PIM1PIM2MAPTOPRL1

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