SCHEMBL10474247

SCHEMBL10474247

[CH2]C(C)Oc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
MERTK Q12866 1/20 0.35
ATM Q13315 2/20 0.35
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
PIN1 Q13526 3/20 0.33
EPAS1 Q99814 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32

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
SCHEMBL10473397 0.89 MEN1 (0.34) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474933 0.89 TDP1 (0.35) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474934 0.89 TDP1 (0.35) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474774 0.88 MEN1 (0.35) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474196 0.88 TDP1 (0.40) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474160 0.87 TDP1 (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10472555 0.87 TDP1 (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10473577 0.87 TDP1 (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8357453 0.87 MERTK (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10472692 0.87 TDP1 (0.41) TDP1MEN1TTRPPOXKMT2A

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