SCHEMBL3266000

SCHEMBL3266000

Cn1nc(-c2[c]c(-c3cccs3)ncc2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 10/20 0.42
▸ GAA P10253 7/20 0.42
▸ GLA P06280 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ APOBEC3A P31941 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ FUBP1 Q96AE4 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGES2 Q9H7Z7 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
SCHEMBL3259727 0.81 KDM4E (0.62) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL3259725 0.69 ALDH1A1 (0.44) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL14008902 0.69 KDM4E (0.49) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL12075264 0.66 L3MBTL1 (0.53) KDM4EL3MBTL1ALDH1A1GAALMNA
SCHEMBL1593531 0.65 ALDH1A1 (0.64) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL13471700 0.64 ALDH1A1 (0.60) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL12568259 0.64 ALDH1A1 (0.56) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL3603965 0.64 ALDH1A1 (0.50) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL13098073 0.63 TP53 (0.59) KDM4EL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL2569391 0.63 ALDH1A1 (0.59) KDM4EL3MBTL1ALDH1A1GAALMNA

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
WO-2010005384-A1 KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ASTRAZENECA AB (SE) 2010-01-14 — — WO disclosed
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