SCHEMBL18306579

SCHEMBL18306579

Cc1cc(N)nc(SCC(=O)Nc2ccccc2)n1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.82
▸ SIRT2 Q8IXJ6 4/20 0.70
▸ LMNA P02545 3/20 0.69
▸ USP2 O75604 2/20 0.62
▸ TSHR P16473 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ GAA P10253 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ POLB P06746 1/20 0.55

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
SCHEMBL22640037 0.86 MAPT (0.85) MAPTSIRT2LMNATSHRSMN1; SMN2
SCHEMBL20067965 0.86 SIRT2 (0.79) MAPTSIRT2LMNAUSP2SMN1; SMN2
SCHEMBL20068003 0.83 SIRT2 (0.71) MAPTSIRT2LMNAUSP2SMN1; SMN2
SCHEMBL20067938 0.83 SIRT2 (0.70) MAPTSIRT2LMNASMN1; SMN2GAA
SCHEMBL20067976 0.82 SIRT2 (0.69) MAPTSIRT2LMNASMN1; SMN2GAA
SCHEMBL20068107 0.82 SIRT2 (1.00) MAPTSIRT2LMNAUSP2SMN1; SMN2
SCHEMBL20068030 0.81 SIRT2 (0.72) MAPTSIRT2LMNAUSP2TSHR
SCHEMBL20067944 0.81 SIRT2 (0.72) MAPTSIRT2LMNAUSP2SMN1; SMN2
SCHEMBL20067928 0.81 SIRT2 (0.76) MAPTSIRT2LMNAUSP2SMN1; SMN2
SCHEMBL20067930 0.81 SIRT2 (0.74) MAPTSIRT2LMNAUSP2GAA

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-3103450-A1 NONE-HYDROPHOBIC COMPOUNDS FOR USE IN TREATING METASTASIS AND/OR CARTILAGE DEFECT Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2016-12-14 — — EP disclosed
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