SCHEMBL7063751

SCHEMBL7063751

CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.85
MEN1 O00255 6/20 0.85
MAPT P10636 5/20 0.85
SMN1; SMN2 Q16637 3/20 0.85
MAPK1 P28482 3/20 0.85
HPGD P15428 1/20 0.85
HTT P42858 1/20 0.85
L3MBTL1 Q9Y468 1/20 0.68
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 3/20 0.59
GAA P10253 1/20 0.58
NPC1 O15118 3/20 0.57
LMNA P02545 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TGM2 P21980 1/20 0.56

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
SCHEMBL8410636 0.88 KMT2A (0.68) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL12894525 0.86 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL8407518 0.86 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL8177271 0.83 KMT2A (0.62) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL7733701 0.82 L3MBTL1 (1.00) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL3832753 0.82 KMT2A (0.65) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL3088486 0.82 MEN1 (0.60) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL11661063 0.81 MAPT (0.59) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL31155744 0.81 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL12869856 0.81 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
EP-1049666-B1 NOVEL NAPHTHYL-SUBSTITUTED AND ANILIDE-SUBSTITUTED SULFONAMIDES BAYER AG (DE) 2003-06-04 EP disclosed
US-6417181-B1 VIRICIDES FORMED BY CATALYTIC HYDROGENATION BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
CN-1294578-A Novel naphthyl and anilide substituted sulfonamides BAYER AG (DE) 2001-05-09 CN disclosed
WO-2001007403-A1 NAPHTHYL-SUBSTITUTED SULFONAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-01 WO disclosed
EP-1049667-A1 NOVEL NAPHTHYL SUBSTITUTED AND HETEROCYCLIC SUBSTITUTED SULFONAMIDES BAYER AG (DE) 2000-11-08 EP disclosed
EP-1049666-A1 NOVEL NAPHTHYL-SUBSTITUTED AND ANILIDE-SUBSTITUTED SULFONAMIDES Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
WO-1999037609-A1 NOVEL NAPHTHYL-SUBSTITUTED AND ANILIDE-SUBSTITUTED SULFONAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
WO-1999037608-A1 NOVEL NAPHTHYL SUBSTITUTED AND HETEROCYCLIC SUBSTITUTED SULFONAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed