SCHEMBL6582515

SCHEMBL6582515

NC(=O)c1ccccc1NC(=O)C1=CC(C2CC(c3ccccc3)=CCN2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SIRT2 Q8IXJ6 4/20 0.34
IKBKB O14920 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PKM P14618 1/20 0.33
GLA P06280 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
SCHEMBL6582578 0.77 SIRT2 (0.43) PDCD1CD274TP53KDM4EALDH1A1
SCHEMBL6373258 0.72 PARP1 (0.44) PDCD1CD274TP53NPC1RAB9A
SCHEMBL7014444 0.70 PDCD1 (0.42) PDCD1CD274NPC1RAB9AKDM4E
SCHEMBL7021149 0.69 HDAC3 (0.43) PDCD1CD274ALDH1A1HPGD
SCHEMBL31751997 0.68 PDCD1 (0.51) PDCD1CD274TP53NPC1RAB9A
SCHEMBL25334138 0.62 F2 (0.48) ALDH1A1
SCHEMBL21446872 0.62 PDCD1 (1.00) PDCD1CD274NPC1RAB9AALDH1A1
SCHEMBL786246 0.61 PDCD1 (0.81) PDCD1CD274TP53NPC1RAB9A
SCHEMBL11284668 0.60 PDCD1 (0.64) PDCD1CD274NPC1RAB9AKDM4E
SCHEMBL1409830 0.59 KDM4E (0.64) PDCD1CD274TP53NPC1RAB9A

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