SCHEMBL14972905

SCHEMBL14972905

CCOC(=O)NCc1ccc2c(c1)c(NC(=O)C=O)c(-c1ccncc1)n2Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPY5R Q15761 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ MDM4 O15151 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ PPID Q08752 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL3847520 0.71 TUBB4A (0.56) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL3847524 0.66 FAAH (0.54) MAPTKDM4EPKMCYP1A2CYP3A4
SCHEMBL5776970 0.64 NAMPT (0.58) MAPTCYP3A4TSHRSMN1; SMN2MAPK14
SCHEMBL5533097 0.64 PDE4A (0.38) MAPTKDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL5531063 0.63 MEN1 (0.36) MAPTKDM4EPKMSMN1; SMN2MDM2
SCHEMBL5773330 0.61 MAPT (0.56) MAPTKDM4EPKMS1PR3L3MBTL1
SCHEMBL8804947 0.60 KDM4E (0.54) MAPTKDM4EPKMCYP1A2CYP3A4
SCHEMBL8259936 0.60 TSHR (0.62) KDM4ECYP1A2CYP3A4CYP2C19TSHR
SCHEMBL10599026 0.60 TSHR (0.70) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL832502 0.60 NOD2 (0.57) MAPTKDM4EPKMTSHRSMN1; SMN2

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-1809279-B1 PARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INT (US) 2013-05-29 — — EP claimed
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