SCHEMBL5534063

SCHEMBL5534063

CCOC(=O)Nc1ccc2c(C(=O)C(=O)Nc3ccncc3)c(Cc3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
ALOX5 P09917 1/20 0.42
MAPT P10636 4/20 0.40
NAMPT P43490 1/20 0.39
NTRK1 P04629 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DGAT1 O75907 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL5526963 0.93 ALOX5 (0.42) RXFP1ALOX5MAPTNAMPTNTRK1
SCHEMBL5535769 0.80 GABRP (0.42) MAPTNAMPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5532547 0.79 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL5533925 0.78 MAPT (0.46) ALOX5MAPTNAMPTSMN1; SMN2ALDH1A1
SCHEMBL3847524 0.76 FAAH (0.54) RXFP1MAPTNAMPTSMN1; SMN2KDM4E
SCHEMBL5535174 0.75 MAPT (0.46) ALOX5MAPTALDH1A1NPC1RAB9A
SCHEMBL3845545 0.74 TUBB4A (0.55) RXFP1MAPTNAMPTKCNQ3KCNQ2
SCHEMBL3850606 0.72 TUBB4A (0.55) RXFP1MAPTNAMPT
SCHEMBL4029345 0.72 POLB (0.45) MAPTNPC1HPGDRAB9AMEN1
SCHEMBL3824082 0.71 TUBB4A (0.53) ALOX5MAPTNAMPTNPC1RAB9A

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