SCHEMBL8089983

SCHEMBL8089983

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CFTR P13569 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM4 P08173 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
RGS4 P49798 1/20 0.36
RGS8 P57771 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NOTUM Q6P988 1/20 0.35
POLB P06746 2/20 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
SCHEMBL8090603 0.88 LMNA (0.43) MEN1KMT2APPARGPPARDPPARA
SCHEMBL8097554 0.85 POLB (0.49) MEN1KMT2ARGS4RGS8SIGMAR1
SCHEMBL8090122 0.85 MEN1 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL2053916 0.83 MEN1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL8098502 0.82 LMNA (0.48) CFTRMEN1KMT2ALMNAHTT
SCHEMBL8104045 0.82 NPSR1 (0.46) MEN1KMT2ALMNAPOLBNPSR1
SCHEMBL8097543 0.82 ALDH1A1 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL8106103 0.81 LMNA (0.48) LMNAHTTPOLBALDH1A1
SCHEMBL8099403 0.80 MEN1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL8099315 0.80 NOTUM (0.40) MEN1KMT2APPARGPPARDPPARA

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