SCHEMBL10850280

SCHEMBL10850280

CN(C)Nc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TTR P02766 1/20 0.62
PPOX P50336 1/20 0.62
MAPT P10636 4/20 0.43
FFAR1 O14842 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL10847117 0.89 MEN1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10712751 0.88 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10597469 0.86 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10847509 0.86 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10599540 0.85 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10858432 0.85 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10881627 0.85 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10828357 0.84 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10853442 0.83 MEN1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10946200 0.83 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX

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
US-4619689-A Diphenyl ether derivatives and herbicides containing same MITSUI TOATSU CHEMICALS, INC. (JP) 1986-10-28 US disclosed
US-4566897-A Diphenyl ether derivatives and herbicides containing same MITSUI TOATSU CHEMICALS, INC. (JP) 1986-01-28 US disclosed
US-4515628-A PRE- AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-05-07 US disclosed