SCHEMBL8105435

SCHEMBL8105435

C=CC(C)(C)NC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2053916 0.89 MEN1 (0.38) RAB9ALMNAMAPK1MEN1KMT2A
SCHEMBL8105021 0.87 ELANE (0.41) MEN1KMT2A
SCHEMBL8099315 0.87 NOTUM (0.40) LMNAMAPK1MEN1KMT2APPARG
SCHEMBL8097543 0.86 ALDH1A1 (0.39) LMNAMAPK1MEN1KMT2APPARG
SCHEMBL8090122 0.85 MEN1 (0.39) RAB9ALMNAMAPK1MEN1KMT2A
SCHEMBL8097661 0.85 ANO1 (0.38) RAB9ALMNAMAPK1MEN1KMT2A
SCHEMBL8103239 0.85 MEN1 (0.35) RAB9ALMNAMAPK1MEN1KMT2A
SCHEMBL8104045 0.82 NPSR1 (0.46) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL8090603 0.82 LMNA (0.43) LMNAMAPK1MEN1KMT2APPARG
SCHEMBL8604039 0.81 TSHR (0.39) RAB9ALMNAMAPK1MEN1KMT2A

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