SCHEMBL2228484

SCHEMBL2228484

O=c1c(CNCC2CC2)c(NCC2CC2)nc2ccccn12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
METTL3 Q86U44 15/20 0.43
METTL14 Q9HCE5 9/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2229604 0.78 GAA (0.40) MAPTMETTL3ALDH1A1KDM4ELMNA
SCHEMBL12517668 0.76 ALDH1A1 (0.59) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2228748 0.76 ALDH1A1 (0.38) MAPTMETTL3ALDH1A1KDM4ELMNA
SCHEMBL2227475 0.76 MAPT (0.52) MAPTMETTL3ALDH1A1KDM4ELMNA
SCHEMBL2229253 0.75 RAB9A (0.47) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2287837 0.74 KAT2B (0.46) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2227877 0.73 METTL3 (0.41) MAPTMETTL3METTL14ALDH1A1KDM4E
SCHEMBL12517354 0.71 ALDH1A1 (0.46) MAPTMETTL3METTL14ALDH1A1KDM4E
SCHEMBL12517358 0.71 GBA1 (0.51) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL12517359 0.71 ALDH1A1 (0.47) MAPTMETTL3METTL14ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO claimed
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed