SCHEMBL4779948

SCHEMBL4779948

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.68
CA9 Q16790 4/20 0.68
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
ALDH1A1 P00352 3/20 0.65
MAPT P10636 1/20 0.65
SCN2A Q99250 2/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ACHE P22303 1/20 0.49
MIF P14174 1/20 0.49
PTPRC P08575 1/20 0.49
S100A4 P26447 1/20 0.49
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28911652 0.86 CA12 (0.70) CA12CA9CA1CA2ALDH1A1
SCHEMBL6581162 0.85 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL6581433 0.85 CA12 (0.61) CA12CA9CA1CA2ALDH1A1
SCHEMBL406359 0.84 CA12 (0.72) CA12CA9CA1CA2ALDH1A1
SCHEMBL1468419 0.84 CA12 (0.64) CA12CA9CA1CA2ALDH1A1
SCHEMBL11689784 0.84 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL10716245 0.84 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL9501472 0.84 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL4378615 0.82 CA12 (0.64) CA12CA9CA1CA2ALDH1A1
SCHEMBL9468420 0.81 SCN2A (0.74) CA12CA9CA1CA2ALDH1A1

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
WO-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed
EP-1192131-B1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING ISOINDOLINE DERIVATIVES WARNER LAMBERT CO (US) 2004-08-04 EP disclosed
EP-1192131-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING ISOINDOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076969-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING ISOINDOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed