SCHEMBL20116669

SCHEMBL20116669

CCCC(CCN)c1nc(-c2ccc(OCC)c(OC)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MAPK1 P28482 1/20 0.57
▸ MAPT P10636 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ S1PR1 P21453 11/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ S1PR3 Q99500 7/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RAB9A P51151 1/20 0.47
▸ TLR9 Q9NR96 2/20 0.47
▸ TLR8 Q9NR97 2/20 0.47
▸ TLR7 Q9NYK1 2/20 0.47

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
SCHEMBL20116543 0.76 SMN1; SMN2 (0.73) SMN1; SMN2MAPK1MAPTNPC1S1PR1
SCHEMBL20116544 0.76 SMN1; SMN2 (0.73) SMN1; SMN2MAPK1MAPTNPC1S1PR1
SCHEMBL19766693 0.71 S1PR1 (0.91) SMN1; SMN2MAPTNPC1S1PR1HSD17B10
SCHEMBL20116254 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1MAPTNPC1S1PR1
SCHEMBL27834106 0.69 SMN1; SMN2 (0.77) SMN1; SMN2MAPTNPC1S1PR1HSD17B10
SCHEMBL1413267 0.69 S1PR1 (1.00) SMN1; SMN2MAPTNPC1S1PR1HSD17B10
SCHEMBL13417216 0.68 S1PR1 (1.00) SMN1; SMN2MAPTNPC1S1PR1HSD17B10
SCHEMBL15662882 0.68 SMN1; SMN2 (0.71) SMN1; SMN2MAPK1MAPTNPC1S1PR1
SCHEMBL13417069 0.68 S1PR1 (1.00) SMN1; SMN2MAPTNPC1S1PR1HSD17B10
SCHEMBL20169182 0.67 S1PR1 (0.89) SMN1; SMN2MAPK1MAPTNPC1S1PR1

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — WO disclosed
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