SCHEMBL5533925

SCHEMBL5533925

O=C(Nc1ccncc1)C(=O)c1c(Cc2ccc(F)cc2)[nH]c2ccc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
ALOX5 P09917 6/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC1 Q13547 1/20 0.35
NAMPT P43490 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
SCHEMBL5535769 0.87 GABRP (0.42) MAPTPOLBSAE1UBA2MEN1
SCHEMBL5532547 0.87 MAPT (0.45) MAPTPOLBSAE1UBA2MEN1
SCHEMBL7639782 0.85 JAK2 (0.41) MAPTPOLBSAE1UBA2ALOX5
SCHEMBL4960029 0.84 PDE4A (0.56) MAPTPOLBSAE1UBA2ALOX5
SCHEMBL5526963 0.84 ALOX5 (0.42) MAPTPOLBSAE1UBA2ALOX5
SCHEMBL2564222 0.79 HTT (0.44) MAPTPOLBMEN1KMT2ATAAR1
SCHEMBL5535174 0.79 MAPT (0.46) MAPTPOLBSAE1UBA2ALOX5
SCHEMBL5534063 0.78 RXFP1 (0.43) MAPTALOX5MEN1KMT2ATAAR1
SCHEMBL4029345 0.78 POLB (0.45) MAPTPOLBMEN1KMT2ATAAR1
SCHEMBL3824082 0.76 TUBB4A (0.53) MAPTPOLBALOX5MEN1KMT2A

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