SCHEMBL8097093

SCHEMBL8097093

O=C1C(Cl)SCN1c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
KCNH2 Q12809 3/20 0.35
MAPT P10636 2/20 0.34
CETP P11597 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL8089666 0.89 DRD2 (0.44) PIM1PIM2HCRTR1HCRTR2DRD2
SCHEMBL8090575 0.85 PIM1 (0.41) PIM1PIM2HCRTR1HCRTR2EPHX2
SCHEMBL8097196 0.79 MGLL (0.45) ALDH1A1DRD2DRD3MAPT
SCHEMBL8103729 0.79 PIM1 (0.44) PIM1PIM2HCRTR1HCRTR2EPHX2
SCHEMBL6509757 0.78 MEN1 (0.43) ALDH1A1DRD2DRD3KCNH2
SCHEMBL8097217 0.78 CTSG (0.41) MAPTFGFR1
SCHEMBL8096938 0.76 FADS1 (0.44) ALDH1A1DRD2DRD3MAPTLMNA
SCHEMBL8552157 0.76 DRD2 (0.44) PIM1PIM2HCRTR1HCRTR2DRD2
SCHEMBL8098677 0.76 MAPT (0.38) PIM1PIM2HCRTR1HCRTR2EPHX2
SCHEMBL8105245 0.76 ALDH1A1 (0.47) ALDH1A1DRD2DRD3KCNH2MAPT

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