SCHEMBL19706959

SCHEMBL19706959

[N-]=[N+]=NCCCNC(=O)CNC(=O)C(CCC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TPSAB1 Q15661 3/20 0.50
▸ SIRT2 Q8IXJ6 6/20 0.48
▸ SIRT1 Q96EB6 4/20 0.48
▸ SIRT3 Q9NTG7 3/20 0.48
▸ CAPN1 P07384 1/20 0.47
▸ CAPN2 P17655 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ MME P08473 1/20 0.45
▸ ECE1 P42892 1/20 0.45

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
SCHEMBL16384723 0.90 SMN1; SMN2 (0.49) SMN1; SMN2TPSAB1SIRT2SIRT1SIRT3
SCHEMBL29437120 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1SIRT2SIRT1SIRT3
SCHEMBL16384724 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1SIRT2SIRT1SIRT3
SCHEMBL10746514 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL10739937 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL21422716 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TPSAB1SIRT2SIRT1SIRT3
SCHEMBL30914622 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL29437121 0.81 SMN1; SMN2 (0.62) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL36611 0.80 SMN1; SMN2 (0.61) SMN1; SMN2CTSLCTSSMMEECE1
SCHEMBL8496964 0.80 SMN1; SMN2 (0.61) SMN1; SMN2CTSLCTSSMMEECE1

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-2017213267-A1 LYSINE CONJUGATED IMMUNOGLOBULINS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-12-14 — — WO disclosed
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