SCHEMBL31473156

SCHEMBL31473156

C[C@H](OC(C)(C)C)C1C(=O)N(C)[C@@H](C)C(=O)N1Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.35
CREBBP Q92793 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL31473143 0.83 EHMT2 (0.38) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL31473150 0.79 HDAC1 (0.40) LMNAHRH1ALDH1A1KMT2APKM
SCHEMBL31758169 0.68 HRH3 (0.39) LMNAHRH1ALDH1A1KMT2APKM
SCHEMBL20780394 0.65 LMNA (0.42) LMNAALDH1A1KMT2APKMMEN1
SCHEMBL20794202 0.65 LMNA (0.42) LMNAALDH1A1KMT2APKMMEN1
SCHEMBL31473148 0.64 BRD4 (0.33) KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL31473132 0.62 HCRTR1 (0.45) ALDH1A1KDM4E
SCHEMBL23846718 0.62 ALDH1A1 (0.46) LMNAALDH1A1KMT2APKMMEN1
SCHEMBL31473158 0.61 EHMT2 (0.40) HDAC1HDAC8HDAC6
SCHEMBL20794203 0.59 ALDH1A1 (0.43) LMNAALDH1A1KMT2APKMMEN1

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
CN-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed