SCHEMBL7164487

SCHEMBL7164487

CS(=O)(=O)Oc1ccc2cccc(NC(=O)CN(CCO)CCc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.38
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7164728 0.85 SIRT2 (0.42) SIRT2ALDH1A1KDM4ELMNAGAA
SCHEMBL7247143 0.70 ALDH1A1 (0.46) ALDH1A1GAA
SCHEMBL6412396 0.69 SIRT2 (0.33) SIRT2
SCHEMBL8003684 0.68 DRD2 (0.34) ALDH1A1KDM4ELMNAGAAKMT2A
SCHEMBL7163976 0.67 MTNR1A (0.43) ALDH1A1LMNAGAAHTT
SCHEMBL3976810 0.63 SIRT2 (0.45) SIRT2
SCHEMBL487112 0.63 TRPV1 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL1041048 0.62 SIRT2 (0.49) SIRT2
SCHEMBL7084063 0.62 SIRT2 (0.43) SIRT2ALDH1A1KDM4ELMNA
SCHEMBL7080830 0.61 SIRT2 (0.44) SIRT2ALDH1A1KDM4ELMNA

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
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed