SCHEMBL3354823

SCHEMBL3354823

CN1CCC(n2cc(C#N)c3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 2/20 0.39
VCAM1 P19320 1/20 0.39
MAPT P10636 5/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL28596296 0.88 ALDH1A1 (0.47) LMNAALDH1A1GAASMN1; SMN2VCAM1
SCHEMBL12996890 0.88 ALDH1A1 (0.47) LMNAALDH1A1GAASMN1; SMN2VCAM1
SCHEMBL3354484 0.82 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2ACHEVCAM1
SCHEMBL3357241 0.82 ACHE (0.41) LMNAALDH1A1ACHEMAPTHIF1A
SCHEMBL3355435 0.81 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ACHEMAPT
SCHEMBL28587259 0.80 XDH (0.53) LMNAALDH1A1GAASMN1; SMN2VCAM1
SCHEMBL3350475 0.80 KDM1A (0.40)
SCHEMBL3354325 0.80 AVPR1A (0.43) LMNAALDH1A1GAASMN1; SMN2ACHE
SCHEMBL3355907 0.80 ACHE (0.39) ALDH1A1ACHEMAPTHIF1AAPP
SCHEMBL3358236 0.79 ALDH1A1 (0.47) LMNAALDH1A1GAASMN1; SMN2ACHE

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