SCHEMBL3351876

SCHEMBL3351876

CCN(CC)CCc1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.48
MAPT P10636 4/20 0.44
SMARCA2 P51531 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTR6 P50406 3/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3355292 0.87 HTR6 (0.59) CDK2MAPTRXFP1HTR6MEN1
SCHEMBL9400557 0.84 MAPT (0.51) CDK2MAPTMEN1LMNAKMT2A
SCHEMBL3354579 0.79 MAPT (0.47) CDK2MAPTHTR6MEN1LMNA
SCHEMBL29540778 0.79 MAPT (0.53) CDK2MAPTMEN1LMNAKMT2A
SCHEMBL12608632 0.78 MAPT (0.63) MAPTSMARCA2RXFP1MEN1LMNA
SCHEMBL3352349 0.78 HTR6 (0.50) MAPTHTR6MEN1KMT2A
SCHEMBL3355596 0.78 ALDH1A1 (0.55) CDK2MAPTHTR6MEN1LMNA
SCHEMBL3355597 0.77 ALDH1A1 (0.57) CDK2HTR6MEN1LMNAKMT2A
SCHEMBL3351522 0.77 HTR6 (0.51) CDK2HTR6MEN1LMNAKMT2A
SCHEMBL12608626 0.75 MAPT (0.56) MAPTSMARCA2RXFP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed