SCHEMBL4449158

SCHEMBL4449158

O=[N+]([O-])c1cccc(S(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
CA2 P00918 2/20 0.65
CA5A P35218 1/20 0.65
TSHR P16473 3/20 0.61
LMNA P02545 2/20 0.61
CA1 P00915 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
MEN1 O00255 2/20 0.57
F2 P00734 2/20 0.54
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
ALDH1A1 P00352 5/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL8099347 0.86 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL28091856 0.85 KMT2A (0.65) KMT2AGAAHTTCA2CA5A
SCHEMBL9580710 0.82 KMT2A (1.00) KMT2AGAAHTTCA2CA5A
Dinitrophenylene SCHEMBL30600045 0.80 TSHR (0.94) KMT2AGAAHTTCA2CA5A
SCHEMBL205255 0.80 KMT2A (0.75) KMT2AGAAHTTCA2CA5A
SCHEMBL6525363 0.78 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
Potassium Ion SCHEMBL10474224 0.78 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL1148409 0.78 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL189037 0.78 CA2 (1.00) KMT2AGAAHTTCA2CA5A
SCHEMBL9471995 0.78 KMT2A (0.72) KMT2AGAAHTTCA2CA5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541008-B2 Fluid reactor UNIVERSITY OF DURHAM OF UNIVERSITY OFFICE (GB) 2009-06-02 US disclosed
US-7541008-B2 Fluid reactor UNIVERSITY OF DURHAM OF UNIVERSITY OFFICE (GB) 2009-06-02 US disclosed
US-20050214184-A1 Fluid reactor UNIVERSITY OF DURHAM OF UNIVERSITY OFFICE (GB) 2005-09-29 US disclosed
WO-2003095086-A2 FLUID REACTOR THE UNIVERSITY OF DURHAM (GB) 2003-11-20 WO disclosed