SCHEMBL8097554

SCHEMBL8097554

O=C(NCc1ccccc1)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CCR1 P32246 1/20 0.42
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL8090603 0.87 LMNA (0.43) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8089983 0.85 CA12 (0.38) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8098502 0.85 LMNA (0.48) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8090122 0.84 MEN1 (0.39) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8099315 0.83 NOTUM (0.40) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8090426 0.83 LMNA (0.40) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL2053916 0.82 MEN1 (0.38) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8104045 0.81 NPSR1 (0.46) POLBLMNAKMT2AMEN1MAPT
SCHEMBL8107067 0.81 ACACB (0.47) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL8099572 0.81 ACACB (0.47) POLBLMNAALDH1A1KMT2AMEN1

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