SCHEMBL8105928

SCHEMBL8105928

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR2 P41597 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
SCHEMBL8097690 0.89 TACR1 (0.31) MAPTNPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL8105924 0.89 ALDH1A1 (0.40) MEN1KMT2ATP53MAPTNPC1
SCHEMBL8090122 0.85 MEN1 (0.39) MEN1KMT2ATP53MAPTNPC1
SCHEMBL8789671 0.83 ALDH1A1 (0.43) MEN1KMT2ATP53MAPTNPC1
SCHEMBL8792368 0.83 MEN1 (0.40) MEN1KMT2ATP53MAPTNPC1
SCHEMBL2053916 0.83 MEN1 (0.38) MEN1KMT2ATP53MAPTNPC1
SCHEMBL8104045 0.82 NPSR1 (0.46) MEN1KMT2ATP53MAPTNPC1
SCHEMBL8090603 0.82 LMNA (0.43) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL8099403 0.81 MEN1 (0.38) MEN1KMT2AOPRM1OPRL1TP53
SCHEMBL8099315 0.81 NOTUM (0.40) MEN1KMT2AOPRM1OPRL1TP53

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed