SCHEMBL8958053

SCHEMBL8958053

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL8464375 0.88 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL8957970 0.87 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL8957992 0.86 KMT2A (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL7228473 0.86 MAPT (0.40) CA12CA1CA2CA9MAPT
SCHEMBL7223994 0.84 POLB (0.36) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7223364 0.82 POLB (0.45) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL7225299 0.82 ALDH1A1 (0.43) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL8957806 0.82 KMT2A (0.35) ALDH1A1TP53KMT2AMEN1POLB
SCHEMBL7230766 0.81 POLB (0.42) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL8958259 0.81 RAB9A (0.34) MAPTALDH1A1KDM4EKMT2AMEN1

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 7 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 claimed
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 claimed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
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