SCHEMBL7220728

SCHEMBL7220728

CC(NC(=O)OC(C)(C)C)OCCn1cnc2cnc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.38
AAK1 Q2M2I8 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
JAK1 P23458 3/20 0.35

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
SCHEMBL3866279 0.82 BCHE (0.43) LMNAHTTNPSR1GAAMEN1
SCHEMBL4330519 0.82 KMT2A (0.43) LMNAHTTNPSR1MAPK1MEN1
SCHEMBL5350633 0.80 PDPK1 (0.45)
SCHEMBL5354727 0.79 PDPK1 (0.44)
SCHEMBL4756322 0.74 NPC1 (0.44) LMNAHTTGAAMEN1KMT2A
SCHEMBL3871840 0.72 POLB (0.53) LMNAPOLBALDH1A1MAPT
SCHEMBL27365676 0.71 APAF1 (0.47) LMNAMAPK1GAAKMT2APOLB
SCHEMBL9602123 0.71 SMN1; SMN2 (0.50) LMNAHTTNPSR1MAPK1GAA
SCHEMBL5617140 0.70 POLB (0.51) LMNAKMT2APOLBALDH1A1MAPT
SCHEMBL5344472 0.69 HDAC3 (0.48) LMNAHTTPOLBRAB9ANPC1

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
US-6664265-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed