SCHEMBL11052290

SCHEMBL11052290

CCO[PH](=O)CCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TTR P02766 1/20 0.56
PPOX P50336 1/20 0.56
FFAR1 O14842 2/20 0.42
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL11048553 0.91 TDP1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11047739 0.91 TDP1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10802698 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11043256 0.83 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11049417 0.83 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11200532 0.82 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11202007 0.82 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10907608 0.82 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL8539841 0.81 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL29352272 0.81 MEN1 (0.65) 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-4434108-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed