SCHEMBL8957992

SCHEMBL8957992

Cc1cc(NC(=O)N(CC(C)C)CC(C)C)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CASR P41180 1/20 0.33
GAA P10253 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SLC6A9 P48067 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL8958053 0.86 CA12 (0.40) KMT2ACA12CA1CA2CA9
SCHEMBL8957970 0.84 CA12 (0.41) CA12CA1CA2CA9GAA
SCHEMBL8958033 0.82 MAPT (0.42) KMT2ACA12CA1CA2CA9
SCHEMBL7223994 0.81 POLB (0.36) KMT2AGAAALDH1A1HTTPOLB
SCHEMBL7228473 0.81 MAPT (0.40) KMT2ACA12CA1CA2CA9
SCHEMBL8464375 0.80 MAPT (0.31)
SCHEMBL7223364 0.79 POLB (0.45) KMT2AGAAALDH1A1POLB
SCHEMBL7225299 0.79 ALDH1A1 (0.43) KMT2AGAAALDH1A1HTTPOLB
SCHEMBL7230766 0.78 POLB (0.42) KMT2AHDAC1HDAC6GAAALDH1A1
SCHEMBL8958259 0.78 RAB9A (0.34) KMT2AGAAALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5189031-A Inhibitor of enzyme aldose reductase, useful in the treatment of certain peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US disclosed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed