SCHEMBL5531063

SCHEMBL5531063

CCOC(=O)N(c1ccncc1)c1ccc2c(NC(=O)C=O)cn(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NFATC1 O95644 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPT P10636 6/20 0.34
▸ KCNQ4 P56696 2/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ P2RX3 P56373 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
SCHEMBL5533097 0.94 PDE4A (0.38) LMNASMN1; SMN2NFATC1GSK3BDYRK1A
SCHEMBL14972859 0.87 CNR1 (0.34) NFATC1GSK3BDYRK1ASERPINE1KDM4E
SCHEMBL6482645 0.77 OPRD1 (0.35) MAPTMDM2KDM4EPKMPOLB
SCHEMBL6475849 0.76 MMP13 (0.36) MEN1KMT2ATHRBMAPTKDM4E
SCHEMBL6699595 0.73 THRB (0.47) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL6579228 0.68 TUBB4A (0.53) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL3845545 0.66 TUBB4A (0.55) MEN1KMT2ANFATC1GSK3BDYRK1A
SCHEMBL6475851 0.64 MAPK14 (0.39) LMNATHRBMAPTKDM4EPKM
SCHEMBL6474711 0.63 CYP19A1 (0.38) PDE4A
SCHEMBL14972905 0.63 MAPT (0.42) SMN1; SMN2MAPTMDM2KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809279-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2007-07-25 — — EP claimed
WO-2006052712-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2006-05-18 — — WO claimed
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