SCHEMBL10698024

SCHEMBL10698024

O=C(O)COc1nc(Oc2c(Cl)cc(OC(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
TXNRD1 Q16881 1/20 0.37
MAPT P10636 1/20 0.35
SCN5A Q14524 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARD Q03181 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL10696732 0.90 TXNRD1 (0.39) THRBMEN1KMT2ATDP1TTR
SCHEMBL20471458 0.76 TXNRD1 (0.39) THRBMEN1KMT2ATDP1TTR
SCHEMBL20471446 0.76 TXNRD1 (0.50) TXNRD1MAPTHTT
SCHEMBL10697964 0.71 KDM4E (0.40) THRBMEN1KMT2ATDP1TTR
SCHEMBL10699015 0.71 TDP1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10698723 0.69 PTGDR2 (0.41) THRBTHRAKDM4EHTTFFAR1
SCHEMBL2698697 0.68 MEN1 (0.57) MEN1KMT2AHTTPPARD
SCHEMBL10697439 0.68 MEN1 (0.38) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10697700 0.67 TDP1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL20278129 0.67 CTSB (0.44) MEN1KMT2AMAPTKDM4EPKM

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed