SCHEMBL10474342

SCHEMBL10474342

CCCCCCCCCCCCC(C)(Oc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G4B P0C869 1/20 0.35
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RECQL P46063 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
AR P10275 2/20 0.31
PSEN1 P49768 2/20 0.31

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
SCHEMBL10473691 0.99 MEN1 (0.37) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10474194 0.95 TDP1 (0.37) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10471923 0.86 TDP1 (0.36) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10473602 0.86 MEN1 (0.41) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10472209 0.83 GAA (0.36) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10472096 0.81 MEN1 (0.41) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10472071 0.81 MAPT (0.41) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9597853 0.80 TDP1 (0.40) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9442572 0.80 ALDH1A1 (0.36) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10472077 0.80 MEN1 (0.36) MEN1TTRPPOXKMT2ATDP1

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-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed