SCHEMBL27640490

SCHEMBL27640490

CCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CCCCOC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.40
NMT2 O60551 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27657384 0.93 TLR7 (0.39) NMT1NMT2
SCHEMBL27640412 0.87 TLR7 (0.52)
SCHEMBL3867677 0.86 BRD4 (0.43) NMT1NMT2MAPTTP53GAA
SCHEMBL28757935 0.86 F10 (0.38) NMT1NMT2
SCHEMBL4491917 0.85 MAPT (0.44) MAPTTP53GAASMN1; SMN2
SCHEMBL27640403 0.84 CYP3A4 (0.39) NMT1NMT2MAPTTP53GAA
SCHEMBL4240323 0.83 TP53 (0.45) MAPTTP53GAASMN1; SMN2
SCHEMBL1486550 0.83 NMT1 (0.38) NMT1NMT2
SCHEMBL1486736 0.79 BRD4 (0.40) NMT1NMT2MAPTSMN1; SMN2
SCHEMBL3872439 0.78 TLR7 (0.47) GAA

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
CN-1842336-A Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-10-04 CN disclosed