SCHEMBL10784129

SCHEMBL10784129

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
FFAR1 O14842 2/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 5/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
HCAR3 P49019 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10783156 1.00 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10784509 0.99 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10782482 0.93 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9759492 0.87 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10782083 0.86 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9758971 0.86 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11017176 0.85 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10884739 0.85 KMT2A (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10711434 0.84 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10453495 0.83 MEN1 (0.59) 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
EP-0149427-B1 (POLY-)OXYALKYLAMINO DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1987-07-08 EP claimed