SCHEMBL8457965

SCHEMBL8457965

FC(F)(F)c1cccc(C2=NOCCO2)c1.O=S(=O)(O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PTPN1 P18031 1/20 0.39
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
NOTUM Q6P988 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
KMO O15229 2/20 0.37
CNR2 P34972 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL27518820 0.95 NOTUM (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL9957948 0.72 NOTUM (0.45) NOTUMCNR2
SCHEMBL7901205 0.69 NOTUM (0.32) NOTUM
SCHEMBL12209197 0.69 NOTUM (0.49) NOTUMPOLBCNR2KDM1A
SCHEMBL1907531 0.66 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL10748422 0.66 NOTUM (0.42) NOTUMKMOCNR2KDM1A
Trifluoromethylbenzene SCHEMBL6018790 0.65 ALDH1A1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL8795485 0.65 LMNA (0.39) MAPTLMNATP53
SCHEMBL2947977 0.64 PTPN1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL4647082 0.64 MAPT (0.44) CA1CA2MMP1MMP2MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923578-A1 5,6-DIHYDRO- 1,4,2]-DIOXAZIN-SUBSTITUTED (HETERO)ARYL-(OXY-,IMINO-, ALKYL-)-SULPHONYLAMINO(THIO)CARBONYL-HETEROCYCLYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998007721-A1 5,6-DIHYDRO-[1,4,2]-DIOXAZIN-SUBSTITUTED (HETERO)ARYL-(OXY-,IMINO-, ALKYL-)-SULPHONYLAMINO(THIO)CARBONYL-HETEROCYCLYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed