SCHEMBL13617948

SCHEMBL13617948

COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
STAT1 P42224 1/20 0.41
LMNA P02545 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
SCHEMBL3839515 0.91 KDM4E (0.46) SIRT2KDM4EALDH1A1POLBGAA
SCHEMBL8347758 0.84 SIRT2 (0.55) SIRT2ALDH1A1LMNA
SCHEMBL8364700 0.83 SIRT2 (0.55) SIRT2ALDH1A1LMNA
SCHEMBL29455876 0.74 SIRT2 (0.63) SIRT2POLB
SCHEMBL2000374 0.73 SIRT2 (0.61) SIRT2ALDH1A1
SCHEMBL22356512 0.73 SIRT2 (0.61) SIRT2ALDH1A1
SCHEMBL1504961 0.73 KDM4E (0.56) KDM4EALDH1A1POLBGAALMNA
SCHEMBL523065 0.72 SIRT2 (0.60) SIRT2
SCHEMBL1999739 0.72 SIRT2 (0.60) SIRT2
SCHEMBL522051 0.72 SIRT2 (0.60) SIRT2

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-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed