SCHEMBL2227475

SCHEMBL2227475

CCCNCc1c(NCCC)nc2ccccn2c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ENPP2 Q13822 1/20 0.42
METTL3 Q86U44 1/20 0.41
GAA P10253 3/20 0.40
RAB9A P51151 1/20 0.40
GLA P06280 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX15 P16050 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
SCHEMBL2227992 0.81 KDM4E (0.56) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3964259 0.81 MAPT (0.46) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL2287837 0.80 KAT2B (0.46) MAPTKDM4EALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL2227870 0.78 HPGD (0.44) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL2229604 0.78 GAA (0.40) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL12517358 0.78 GBA1 (0.51) KDM4EALDH1A1LMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL2229679 0.77 GBA1 (0.50) KDM4EALDH1A1LMNAL3MBTL1GAA
SCHEMBL2229253 0.77 RAB9A (0.47) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL2228484 0.76 MAPT (0.44) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3953197 0.75 ENPP2 (0.47) MAPTKDM4EALDH1A1ENPP2GAA

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
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