SCHEMBL6582578

SCHEMBL6582578

NC(=O)c1ccccc1NC(=O)C1CCC(C2CC(c3ccccc3)=CCN2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
ALDH1A1 P00352 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
SIRT1 Q96EB6 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
BTK Q06187 1/20 0.37
PIK3CD O00329 1/20 0.36
PIM1 P11309 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL21724826 0.77 SIRT2 (0.63) SIRT2PIK3C3ALDH1A1PDCD1CD274
SCHEMBL6582515 0.77 PDCD1 (0.42) SIRT2ALDH1A1PDCD1CD274KDM4E
SCHEMBL7014444 0.73 PDCD1 (0.42) ALDH1A1PDCD1CD274KDM4EHPGD
SCHEMBL7021149 0.72 HDAC3 (0.43) ALDH1A1PDCD1CD274HPGDLMNA
SCHEMBL6374412 0.72 ALDH1A1 (0.44) SIRT2PIK3C3ALDH1A1PDCD1CD274
SCHEMBL6374279 0.71 SIRT2 (0.56) SIRT2PIK3C3ALDH1A1KDM4EHPGD
SCHEMBL4839328 0.71 SIRT2 (0.75) SIRT2PIK3C3ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5243116 0.70 SIRT2 (0.73) SIRT2PIK3C3ALDH1A1KDM4EHPGD
SCHEMBL28170369 0.68 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL16404476 0.68 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDNPSR1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458688-A1 QUINAZOLINONE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-22 EP disclosed
WO-2003055865-A1 QUINAZOLINONE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-10 WO disclosed