SCHEMBL6981036

SCHEMBL6981036

Cc1ccc(S(=O)(=O)N2C(c3ccccc3)C2c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MAPT P10636 2/20 0.51
ACHE P22303 3/20 0.50
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 1/20 0.43
HTT P42858 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42

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
SCHEMBL11973569 0.87 MMP2 (0.59) MMP2MAPTACHENPSR1ALDH1A1
SCHEMBL6981947 0.87 MMP2 (0.59) MMP2MAPTACHENPSR1ALDH1A1
SCHEMBL17643989 0.80 MMP2 (0.53) MMP2MAPTACHEMEN1KMT2A
SCHEMBL19384141 0.80 MMP2 (0.53) MMP2MAPTACHEMEN1KMT2A
SCHEMBL6977795 0.80 LMNA (0.63) MMP2MAPTNPSR1KMT2AALDH1A1
SCHEMBL6977791 0.80 LMNA (0.63) MMP2MAPTNPSR1KMT2AALDH1A1
SCHEMBL6977799 0.80 LMNA (0.63) MMP2MAPTNPSR1KMT2AALDH1A1
SCHEMBL6081659 0.77 MMP2 (0.55) MMP2MAPTACHENPSR1ALDH1A1
SCHEMBL8471111 0.77 MMP2 (0.55) MMP2MAPTACHENPSR1ALDH1A1
SCHEMBL2600493 0.77 MMP2 (0.55) MMP2MAPTACHENPSR1ALDH1A1

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-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed