SCHEMBL5528849

SCHEMBL5528849

O=C(Nc1ccc(F)cc1)C(=O)c1c(Cc2ccccn2)[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
HTR2C P28335 1/20 0.39
STING1 Q86WV6 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL5532781 0.89 NPC1 (0.42) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL5535174 0.85 MAPT (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5535769 0.82 GABRP (0.42) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5528306 0.82 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5530790 0.81 NPC1 (0.43) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5532784 0.78 PDE4A (0.52) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL5531131 0.77 RAB9A (0.47) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL5538626 0.77 MAPT (0.57) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL4029345 0.75 POLB (0.45) MEN1KMT2AMAPTHTTPOLB
SCHEMBL5533387 0.74 NPC1 (0.47) MEN1KMT2AMAPTALDH1A1POLB

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