SCHEMBL13690334

SCHEMBL13690334

CS(=O)(=O)c1cc(I)cc(NO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ENPP2 Q13822 2/20 0.33
WDR5 P61964 2/20 0.32
TGM2 P21980 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A1 P68400 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL309183 0.74 ENPP2 (0.46) ENPP2PTGS2LMNA
SCHEMBL2550551 0.69 PTGS2 (0.39) CA1CA2ENPP2PTGS2CA12
SCHEMBL2553579 0.69 CA12 (0.44) CA1CA2PTGS2ALDH1A1LMNA
SCHEMBL309298 0.67 SMN1; SMN2 (0.39) PTGS2ALDH1A1LMNASMN1; SMN2
SCHEMBL10225172 0.67 SMN1; SMN2 (0.32) ENPP2SMN1; SMN2
SCHEMBL2556288 0.67 ERN1 (0.31) ENPP2PTGS2LMNA
SCHEMBL16651363 0.66 TTR (0.48) CA1CA2ENPP2WDR5MEN1
SCHEMBL1334156 0.65 ENPP2 (0.48) CA1CA2ENPP2PTGS2LMNA
SCHEMBL309246 0.64 HTT (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL18184228 0.64 TPMT (0.45) ACP1CA1CA2MEN1ALDH1A1

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
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed