SCHEMBL9752572

SCHEMBL9752572

O=c1ccccn1CCCCOCCCCOc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
DRD3 P35462 1/20 0.35
KDM1A O60341 1/20 0.34
GRM2 Q14416 1/20 0.34
PSMB1 P20618 1/20 0.34

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
Water SCHEMBL9752715 0.93 L3MBTL1 (0.43) L3MBTL1NPC1MITFLMNATP53
Water SCHEMBL9752767 0.86 L3MBTL1 (0.47) L3MBTL1NPC1MITFLMNATP53
SCHEMBL9752671 0.85 L3MBTL1 (0.51) L3MBTL1NPC1MITFLMNATP53
SCHEMBL31424843 0.76 SMN1; SMN2 (0.46) L3MBTL1NPC1MITFLMNATP53
SCHEMBL15911434 0.75 NPC1 (0.43) L3MBTL1NPC1LMNATP53RAB9A
SCHEMBL9394796 0.75 L3MBTL1 (0.51) L3MBTL1NPC1MITFLMNATP53
SCHEMBL9752736 0.74 L3MBTL1 (0.60) L3MBTL1NPC1MITFLMNATP53
SCHEMBL9752728 0.74 L3MBTL1 (0.50) L3MBTL1NPC1MITFLMNATP53
SCHEMBL9752719 0.74 L3MBTL1 (0.50) L3MBTL1NPC1MITFLMNATP53
SCHEMBL9752571 0.74 L3MBTL1 (0.50) L3MBTL1NPC1MITFLMNATP53

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-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO claimed
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed