SCHEMBL10996901

SCHEMBL10996901

CNOCC(=O)OCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
TTR P02766 1/20 0.58
PPOX P50336 1/20 0.58
FFAR1 O14842 3/20 0.43
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL10993564 0.89 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10991144 0.88 HTR2A (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10988435 0.87 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10995967 0.85 LMNA (0.51) MEN1KMT2ATDP1FFAR1LMNA
Alcohol SCHEMBL10996415 0.85 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10690773 0.85 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10991266 0.84 HTR2A (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10997894 0.83 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10512308 0.82 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10507985 0.82 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4526608-A Weed control ZOECON CORPORATION (US) 1985-07-02 US disclosed