SCHEMBL8090575

SCHEMBL8090575

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.36
NOTUM Q6P988 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
KCNH2 Q12809 3/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CETP P11597 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
AKT1 P31749 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL8103660 0.89 NOTUM (0.45) PIM1PIM2HCRTR1HCRTR2NOTUM
SCHEMBL8097093 0.85 PIM1 (0.41) PIM1PIM2HCRTR1HCRTR2EPHX2
SCHEMBL8089994 0.79 MGLL (0.45) MAPTDRD2DRD3LMNAPOLB
SCHEMBL8098686 0.78 THRB (0.46) MAPT
SCHEMBL5827269 0.78 MEN1 (0.43) ALDH1A1NOTUMDRD2DRD3POLB
SCHEMBL8098677 0.78 MAPT (0.38) PIM1PIM2HCRTR1HCRTR2EPHX2
SCHEMBL8103211 0.76 FADS1 (0.44) ALDH1A1MAPTDRD2DRD3LMNA
SCHEMBL8552157 0.76 DRD2 (0.44) PIM1PIM2HCRTR1HCRTR2NOTUM
SCHEMBL8103729 0.76 PIM1 (0.44) PIM1PIM2HCRTR1HCRTR2EPHX2
SCHEMBL8090389 0.74 ALDH1A1 (0.43) ALDH1A1MAPTLMNA

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