SCHEMBL3355435

SCHEMBL3355435

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 2/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.39
ERN1 O75460 1/20 0.38
PTPN1 P18031 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HIF1A Q16665 1/20 0.37
HTR7 P34969 1/20 0.36
SLC6A4 P31645 1/20 0.36
MCL1 Q07820 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
SCHEMBL3355907 0.90 ACHE (0.39) ALDH1A1ACHEMAPTPKMAPP
SCHEMBL3357241 0.83 ACHE (0.41) ALDH1A1KMT2ALMNAACHEMAPT
SCHEMBL3354484 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3354823 0.81 LMNA (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3354325 0.81 AVPR1A (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3358236 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13537602 0.79 OPRM1 (0.38) ALDH1A1ERN1
SCHEMBL3352685 0.78 MAPT (0.47) ALDH1A1LMNAACHEMAPTAPP
SCHEMBL3357600 0.78 ACHE (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13537477 0.78 HTR1B (0.39) ALDH1A1KMT2AMEN1

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