SCHEMBL9303677

SCHEMBL9303677

Cc1ccccc1S(=O)(=O)NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 1/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 5/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL6642132 0.82 GAA (0.62) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL8304862 0.82 GAA (0.76) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL9176062 0.81 LMNA (0.57) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL6639356 0.80 KMT2A (0.61) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL3637063 0.79 LMNA (0.68) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL9301197 0.79 ALDH1A1 (0.57) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL28684587 0.79 LMNA (0.54) SMN1; SMN2GAAMEN1KMT2ALMNA
SCHEMBL9301023 0.79 LMNA (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL9190894 0.79 PPARG (0.47) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL9301541 0.78 KMT2A (0.58) SMN1; SMN2GAAMEN1KMT2ALMNA

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
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed