SCHEMBL17656275

SCHEMBL17656275

C=C(CN=N)C(CCC)CCNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.52
▸ SLC1A1 P43005 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TGM2 P21980 1/20 0.44
▸ KEAP1 Q14145 2/20 0.43
▸ NFE2L2 Q16236 2/20 0.43
▸ KCNA5 P22460 2/20 0.43
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL14985685 0.89 SLC1A3 (0.54) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL14985684 0.82 SLC1A3 (0.69) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL16378068 0.81 SLC1A3 (0.60) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL14985686 0.80 SLC1A3 (0.59) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL14985688 0.78 SLC1A3 (0.57) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL20782480 0.77 LMNA (0.60) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL15505928 0.76 SLC1A3 (0.55) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL16299891 0.76 LMNA (0.58) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL18375320 0.76 LMNA (0.58) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL9564585 0.76 SLC1A3 (0.59) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1

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
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
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