SCHEMBL8957976

SCHEMBL8957976

C=CCN(C(=O)Nc1cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
AKR1B1 P15121 1/20 0.33

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
SCHEMBL8958033 0.84 MAPT (0.42) LMNANPC1RAB9APKMKDM4E
SCHEMBL8957912 0.83 NPC1 (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL8957970 0.77 CA12 (0.41) ALDH1A1GAATSHR
SCHEMBL7223994 0.76 POLB (0.36) LMNARAB9APKMKDM4EALDH1A1
SCHEMBL8958053 0.75 CA12 (0.40) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL8467038 0.74 ALDH1A1 (0.52) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7228473 0.74 MAPT (0.40) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL8958001 0.73 CA12 (0.40) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL8957820 0.73 THRA (0.38) LMNANPC1RAB9AGAAMAPT
SCHEMBL7223364 0.73 POLB (0.45) NPC1RAB9AALDH1A1GAAMEN1

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