SCHEMBL6532198

SCHEMBL6532198

CCCC(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
CA1 P00915 2/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 4/20 0.41

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
SCHEMBL6025519 0.89 KMT2A (0.49) L3MBTL1CA2CA12CA9GAA
SCHEMBL6026285 0.82 KMT2A (0.47) L3MBTL1CA2CA12CA9SMN1; SMN2
SCHEMBL6531285 0.82 KMT2A (0.46) L3MBTL1CA2CA12CA9SMN1; SMN2
SCHEMBL6025782 0.78 GBA1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL9629229 0.74 KMT2A (0.46) ALDH1A1L3MBTL1CA2CA12CA9
SCHEMBL6026237 0.74 CA1 (0.46) ALDH1A1CA2GAAKMT2ACA1
SCHEMBL8438771 0.71 KMT2A (0.53) ALDH1A1L3MBTL1CA2CA12CA9
SCHEMBL6530533 0.69 ALPL (0.39) SMN1; SMN2LMNA
SCHEMBL6470836 0.68 KMT2A (0.56) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL14061940 0.67 CA2 (0.69) ALDH1A1L3MBTL1CA2CA12CA9

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-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed