SCHEMBL9715352

SCHEMBL9715352

FC(F)(F)CNC(=S)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 3/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 5/20 0.56
ALOX12 P18054 4/20 0.56
MAPK14 Q16539 2/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
PLA2G1B P04054 3/20 0.53
ATG4B Q9Y4P1 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 2/20 0.50
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.45

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
SCHEMBL9678761 0.82 MAPT (0.60) MEN1KMT2AGAAPOLBMAPT
SCHEMBL9678930 0.81 ALDH1A1 (0.51) MEN1KMT2AGAAPOLBMAPT
SCHEMBL9679430 0.80 LMNA (0.60) MEN1KMT2AGAAPOLBMAPT
SCHEMBL20474806 0.79 KMT2A (0.66) MEN1KMT2AGAAPOLBMAPT
SCHEMBL9678079 0.79 MAPT (0.50) MEN1KMT2AGAAPOLBMAPT
SCHEMBL9715471 0.79 ALDH1A1 (0.70) MEN1KMT2AGAAMAPTALOX12
SCHEMBL9715331 0.77 MEN1 (0.57) MEN1KMT2AGAAPOLBMAPT
SCHEMBL9678095 0.77 ALDH1A1 (0.47) MEN1KMT2AGAAPOLBMAPT
SCHEMBL3427560 0.75 GAA (0.60) MEN1KMT2AGAAPOLBMAPT
SCHEMBL3484442 0.75 KMT2A (0.82) MEN1KMT2AGAAPOLBMAPT

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-0308961-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-08 EP disclosed
US-5021412-A Protecting agricultural crops MITSUI TOATSU CHEMICALS, INC. (JP) 1991-06-04 US disclosed
EP-0308961-A1 Thiadiazines, process for production thereof, and insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-29 EP disclosed