SCHEMBL5533097

SCHEMBL5533097

CCOC(=O)N(c1ccncc1)c1ccc2c(c1)c(NC(=O)C=O)cn2Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ ENPP2 Q13822 7/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NFATC1 O95644 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL5531063 0.94 MEN1 (0.36) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL14972859 0.82 CNR1 (0.34) KDM4ENFATC1GSK3BDYRK1AALDH1A1
SCHEMBL6699595 0.78 THRB (0.47) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL6475849 0.77 MMP13 (0.36) THRBMAPTPOLBKDM4EPKM
SCHEMBL6482645 0.75 OPRD1 (0.35) MAPTPOLBKDM4EPKMALDH1A1
SCHEMBL6579228 0.69 TUBB4A (0.53) MAPTSMN1; SMN2LMNAPOLBKDM4E
SCHEMBL3850606 0.67 TUBB4A (0.55) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL3847520 0.66 TUBB4A (0.56) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL6475851 0.66 MAPK14 (0.39) THRBMAPTLMNAPOLBKDM4E
SCHEMBL7057720 0.65 THRB (0.59) THRBMAPTSMN1; SMN2LMNAPOLB

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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