SCHEMBL7164728

SCHEMBL7164728

CS(=O)(=O)Oc1ccc2cccc(NC(=O)CNCCc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.42
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7164487 0.85 SIRT2 (0.38) SIRT2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL8003684 0.77 DRD2 (0.34) ALDH1A1MEN1LMNAKMT2AATM
SCHEMBL6412396 0.72 SIRT2 (0.33) SIRT2MTNR1A
SCHEMBL7163976 0.72 MTNR1A (0.43) ALDH1A1LMNAMTNR1AMAPTGAA
SCHEMBL9233634 0.72 SIRT2 (0.55) SIRT2
SCHEMBL7247143 0.71 ALDH1A1 (0.46) ALDH1A1MTNR1AMAPTGAA
SCHEMBL30684590 0.68 SIRT2 (0.48) SIRT2MEN1KMT2AL3MBTL1
SCHEMBL3976810 0.66 SIRT2 (0.45) SIRT2
SCHEMBL487112 0.66 TRPV1 (0.44) ALDH1A1MEN1KMT2AMTNR1AKDM4E
SCHEMBL7084063 0.64 SIRT2 (0.43) SIRT2ALDH1A1LMNAKDM4E

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