SCHEMBL8958011

SCHEMBL8958011

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.33
KMT2A Q03164 8/20 0.33
MEN1 O00255 6/20 0.33
MAPT P10636 5/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 6/20 0.32
AKR1B1 P15121 1/20 0.32
GAA P10253 3/20 0.31
NPC1 O15118 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACP1 P24666 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
SCHEMBL7223994 0.92 POLB (0.36) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL8958259 0.89 RAB9A (0.34) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL8957820 0.88 THRA (0.38) KMT2AMEN1MAPTRAB9AAKR1B1
SCHEMBL8957815 0.86 ALDH1A1 (0.33) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL7228473 0.86 MAPT (0.40) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL7225299 0.85 ALDH1A1 (0.43) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL7223364 0.85 POLB (0.45) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL9592058 0.84 ALDH1A1 (0.32) POLBKMT2AMEN1MAPTRAB9A
SCHEMBL7230766 0.83 POLB (0.42) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8464375 0.82 MAPT (0.31) MAPTSMN1; SMN2

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