SCHEMBL6208041

SCHEMBL6208041

O=C(c1ccc2[nH]cnc2c1)N(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
POLB P06746 4/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
NAMPT P43490 1/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GNRHR P30968 1/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL1007145 0.82 HPGD (0.55) MAPTHDAC6L3MBTL1CTDSP1HTT
SCHEMBL3727867 0.77 HDAC6 (0.45) MAPTHDAC6L3MBTL1CTDSP1POLB
SCHEMBL29431281 0.76 HTT (0.53) MAPTHDAC6L3MBTL1POLBHTT
SCHEMBL1055281 0.74 HDAC6 (0.56) MAPTHDAC6L3MBTL1CTDSP1POLB
SCHEMBL3502643 0.73 L3MBTL1 (0.47) HDAC6L3MBTL1CTDSP1POLBHTT
SCHEMBL5947 0.73 KDM4E (0.53) MAPTHDAC6L3MBTL1POLBHTT
SCHEMBL6112686 0.72 KMT2A (0.41) MAPTHDAC6L3MBTL1CTDSP1POLB
Trifluoroacetic Acid SCHEMBL6976344 0.72 AR (0.45) MAPTHDAC6L3MBTL1POLBHTT
SCHEMBL1608962 0.72 HDAC6 (0.77) MAPTHDAC6CTDSP1POLBHTT
SCHEMBL15979923 0.72 CTNNB1 (0.56) MAPTCTNNB1WNT3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554254-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004035548-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-04-29 WO claimed
EP-1554254-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004035548-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-04-29 WO disclosed