SCHEMBL11099642

SCHEMBL11099642

FC(F)(F)c1cccc(C=NOCl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
FBP1 P09467 1/20 0.44
HTT P42858 1/20 0.44
P4HB P07237 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
CASP6 P55212 1/20 0.42
MAOB P27338 2/20 0.42
GRIN1 Q05586 1/20 0.42

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
SCHEMBL11099640 1.00 RECQL (0.51) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL746313 0.77 RECQL (0.55) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL5215991 0.77 RECQL (0.55) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL746312 0.77 RECQL (0.55) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL5954099 0.77 RECQL (0.55) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL2165184 0.77 RECQL (0.55) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL4595327 0.77 NPC1 (0.62) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL14904519 0.77 NFE2L2 (0.54) RECQLNFE2L2MEN1KMT2AMAPT
SCHEMBL28618284 0.74 ALDH1A1 (0.50) KMT2AMAPTKDM4ELMNAPKM
SCHEMBL28605730 0.74 CHRM5 (0.64) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013111-B1 3'-(SUBSTITUTED PHENYL)-SPIRO(ISOBENZOFURAN-1(3H),5'(4'H)-ISOXAZOL)-3-ONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS HERBICIDES AND PLANT GROWTH REGULANTS AND THEIR APPLICATION TO THE PREPARATION OF ISOXAZOLE DERIVATIVES MONSANTO COMPANY (US) 1984-02-22 EP disclosed
US-4401457-A 3'-(Substituted phenyl)-spiro[isobenzofuran-1(3H),5'(4'H)-isoxazol]-3-ones and their use as herbicides MONSANTO COMPANY (US) 1983-08-30 US disclosed
US-4364768-A FOR LEGUMES MONSANTO COMPANY (US) 1982-12-21 US disclosed
EP-0013111-A2 3'-(substituted phenyl)-spiro(isobenzofuran-1(3H),5'(4'H)-isoxazol)-3-ones, process for their preparation, their use as herbicides and plant growth regulants and their application to the preparation of isoxazole derivatives MONSANTO COMPANY (US) 1980-07-09 EP disclosed
US-4209629-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1980-06-24 US disclosed