SCHEMBL6584675

SCHEMBL6584675

Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.61
CA9 Q16790 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TSHR P16473 2/20 0.61
NPC1 O15118 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP1 P29466 1/20 0.61
RAB9A P51151 1/20 0.61
TDP1 Q9NUW8 2/20 0.56
SCN2A Q99250 2/20 0.55
PTPN7 P35236 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.52
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8664384 0.89 CA12 (0.59) CA12CA9CA1CA2ALDH1A1
SCHEMBL28911652 0.87 CA12 (0.70) CA12CA9CA1CA2ALDH1A1
SCHEMBL9468420 0.82 SCN2A (0.74) CA12CA9CA1CA2ALDH1A1
SCHEMBL28911681 0.82 CA12 (0.65) CA12CA9CA1CA2ALDH1A1
SCHEMBL10381359 0.81 SCN2A (0.82) CA12CA9CA1CA2ALDH1A1
SCHEMBL10425042 0.80 CA12 (0.61) CA12CA9CA1CA2ALDH1A1
SCHEMBL6581433 0.80 CA12 (0.61) CA12CA9CA1CA2ALDH1A1
SCHEMBL4779948 0.79 CA12 (0.68) CA12CA9CA1CA2ALDH1A1
SCHEMBL406359 0.79 CA12 (0.72) CA12CA9CA1CA2ALDH1A1
SCHEMBL1468419 0.79 CA12 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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