SCHEMBL8098502

SCHEMBL8098502

O=C(Nc1ccccc1)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 1/20 0.44
CFTR P13569 1/20 0.42
POLB P06746 1/20 0.41
KCNJ6 P48051 3/20 0.41
KCNJ5 P48544 3/20 0.41
KCNJ3 P48549 3/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAAH O00519 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8090122 0.86 MEN1 (0.39) LMNAHTTKMT2AMAPTMEN1
SCHEMBL8099315 0.86 NOTUM (0.40) LMNAHTTKMT2AMAPTMEN1
SCHEMBL8097554 0.85 POLB (0.49) LMNAKMT2AMAPTMEN1POLB
SCHEMBL8090426 0.85 LMNA (0.40) LMNAHTTKMT2AMAPTMEN1
SCHEMBL2053916 0.84 MEN1 (0.38) LMNAHTTKMT2AMAPTMEN1
SCHEMBL8090603 0.84 LMNA (0.43) LMNAHTTKMT2AMEN1POLB
SCHEMBL8104045 0.84 NPSR1 (0.46) LMNAKMT2AMAPTMEN1RAB9A
SCHEMBL8099572 0.84 ACACB (0.47) LMNAHTTKMT2AMEN1POLB
SCHEMBL8107067 0.84 ACACB (0.47) LMNAHTTKMT2AMEN1POLB
SCHEMBL8106103 0.83 LMNA (0.48) LMNAHTTMAPTRAB9APOLB

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