SCHEMBL7489390

SCHEMBL7489390

O=C(NN1CCc2ccccc2C1)Oc1ccc2c(c1)CN(Nc1ccncc1)C2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.61
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 2/20 0.38
NAMPT P43490 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 1/20 0.36
EED O75530 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
Hydrochloric Acid SCHEMBL7479742 0.81 LIPE (0.51) LIPEL3MBTL1AKR1C3NAMPTGRIN2D
SCHEMBL7477425 0.79 ACHE (0.46) LIPERAB9ABCHE
SCHEMBL7549708 0.77 LIPE (1.00) LIPENPC1RAB9APRMT5WDR77
SCHEMBL7484036 0.77 ACHE (0.43) LIPERAB9ABCHE
SCHEMBL7477903 0.76 EED (0.54) LIPENAMPTGRIN2DGRIN3BGRIN1
SCHEMBL7550918 0.75 LIPE (0.81) LIPENPC1RAB9APRMT5WDR77
SCHEMBL7550712 0.75 LIPE (0.80) LIPENPC1RAB9APRMT5WDR77
SCHEMBL7549145 0.75 LIPE (1.00) LIPEL3MBTL1NPC1RAB9A
SCHEMBL7555453 0.75 LIPE (0.80) LIPENPC1RAB9APRMT5WDR77
SCHEMBL7557024 0.75 LIPE (1.00) LIPEL3MBTL1AKR1C3PRMT5WDR77

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
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed