SCHEMBL9499446

SCHEMBL9499446

Cc1oc2ccc(S(=O)(=O)C[N+](=O)[O-])cc2c(=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 3/20 0.33
ALDH2 P05091 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 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
SCHEMBL9333747 0.80 ALDH2 (0.41) SMN1; SMN2GAANPSR1ALDH1A1MAPT
SCHEMBL9334571 0.77 LMNA (0.43) SMN1; SMN2GAANPSR1ALDH1A1MAPT
SCHEMBL9499154 0.77 AKR1B1 (0.43) HTTSMN1; SMN2GAANPSR1ALDH1A1
SCHEMBL9334566 0.76 AKR1B1 (0.42) HTTSMN1; SMN2GAANPSR1ALDH1A1
SCHEMBL11233028 0.75 KDM1A (0.53) HTTALDH1A1MAPTKDM1ALMNA
SCHEMBL11228880 0.67 SMN1; SMN2 (0.67) SMN1; SMN2GAAALDH1A1MAPTHPGD
SCHEMBL30901818 0.67 KMT2A (0.60) SMN1; SMN2MAPTTP53LMNAKDM4E
SCHEMBL14588431 0.66 HPGD (0.45) HTTSMN1; SMN2GAANPSR1ALDH1A1
SCHEMBL9711140 0.66 ALDH1A1 (0.55) GAAALDH1A1MAPTAKR1B1LMNA
SCHEMBL9740784 0.65 TSHR (0.43) SMN1; SMN2ALDH1A1MAPTAKR1B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185452-A Antidiabetic agents; aldose reductase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
EP-0409949-A1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS. ICI PLC (GB) 1991-01-30 EP disclosed
WO-1990008763-A1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 WO disclosed