SCHEMBL574190

SCHEMBL574190

COC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(F)cc2)c(S(N)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.51
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
USP10 Q14694 1/20 0.45
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SOS1 Q07889 1/20 0.40
TPMT P51580 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL11543280 0.91 VCAM1 (0.53) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL11540783 0.90 VCAM1 (0.52) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL11541635 0.89 MAPT (0.55) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL573787 0.89 VCAM1 (0.53) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL572967 0.88 LMNA (0.47) MAPTALDH1A1NPSR1HPGDCA12
SCHEMBL11540454 0.84 VCAM1 (0.50) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL574446 0.82 VCAM1 (0.44) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL10224543 0.82 VCAM1 (0.44) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL574447 0.82 VCAM1 (0.44) VCAM1POLBMAPTALDH1A1NPSR1
SCHEMBL11543992 0.81 TPMT (0.54) VCAM1MAPTALDH1A1NPSR1HPGD

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
EP-2598478-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2013-06-05 EP disclosed
WO-2012018635-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-02-09 WO disclosed
WO-2012018635-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-02-09 WO disclosed