SCHEMBL6024973

SCHEMBL6024973

[CH2]CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.54
MAPK1 P28482 2/20 0.54
VCAM1 P19320 1/20 0.53
CA2 P00918 2/20 0.51
CA5A P35218 1/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.48

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
SCHEMBL4589706 0.93 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL8247534 0.81 VCAM1 (0.59) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL11174733 0.80 KMT2A (0.57) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL5461742 0.80 LMNA (0.65) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL4589703 0.78 KMT2A (0.54) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL854501 0.77 KMT2A (0.66) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL30213213 0.77 KMT2A (0.66) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL10495990 0.77 VCAM1 (0.60) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL2876686 0.76 KMT2A (0.68) SMN1; SMN2ALDH1A1TSHRKMT2AGAA
SCHEMBL7650160 0.75 HTT (0.66) SMN1; SMN2ALDH1A1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO disclosed