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
SCHEMBL3354484 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3357241 0.83 ACHE (0.41) ALDH1A1KMT2ALMNAACHEMAPT
SCHEMBL3354325 0.81 AVPR1A (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3354823 0.81 LMNA (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
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