SCHEMBL9752728

SCHEMBL9752728

O=c1ccccn1CCCCCCn1ccccc1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PSMB1 P20618 1/20 0.47
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
TSHR P16473 1/20 0.42
PLD1 Q13393 1/20 0.39
DRD2 P14416 1/20 0.38
PSMB5 P28074 1/20 0.37

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
SCHEMBL9752571 1.00 L3MBTL1 (0.50) L3MBTL1POLBNPSR1PSMB1NPC1
SCHEMBL9752719 1.00 L3MBTL1 (0.50) L3MBTL1POLBNPSR1PSMB1NPC1
SCHEMBL9394796 0.98 L3MBTL1 (0.51) L3MBTL1POLBNPSR1PSMB1NPC1
SCHEMBL9752675 0.93 L3MBTL1 (0.51) L3MBTL1POLBNPSR1PSMB1NPC1
SCHEMBL8778695 0.90 ALDH1A1 (0.47) L3MBTL1NPC1MITFLMNATP53
SCHEMBL12096492 0.90 ALDH1A1 (0.47) L3MBTL1NPC1MITFLMNATP53
SCHEMBL11611166 0.90 PSMB1 (0.45) L3MBTL1POLBNPSR1PSMB1NPC1
SCHEMBL10764271 0.90 ALDH1A1 (0.47) L3MBTL1NPC1MITFLMNATP53
SCHEMBL10767578 0.90 ALDH1A1 (0.47) L3MBTL1NPC1MITFLMNATP53
SCHEMBL1309193 0.90 L3MBTL1 (0.44) L3MBTL1POLBNPSR1PSMB1NPC1

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