SCHEMBL2432821

SCHEMBL2432821

CCN(C(=O)C1CCC(C)CC1)c1cc(-c2ccc(NC(=O)c3cc[nH]n3)cc2)sc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
KDM4E B2RXH2 5/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 2/20 0.36
EZH2 Q15910 4/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2432819 1.00 MAPT (0.38) MAPTKDM4EHTTATMTP53
SCHEMBL2431146 0.93 EZH2 (0.35) MAPTKDM4EHTTATMEZH2
SCHEMBL2431148 0.93 EZH2 (0.35) MAPTKDM4EHTTATMEZH2
SCHEMBL3841046 0.92 KDM4E (0.36) MAPTKDM4EHTTATMTP53
SCHEMBL2432217 0.92 KDM4E (0.36) MAPTKDM4EHTTATMTP53
SCHEMBL2432963 0.87 KDM4E (0.37) MAPTKDM4EHTTATMTP53
SCHEMBL2432964 0.87 KDM4E (0.37) MAPTKDM4EHTTATMTP53
SCHEMBL13630669 0.87 EZH2 (0.35) KDM4ETP53EZH2ALDH1A1HSD17B10
SCHEMBL2432576 0.87 MAPT (0.40) MAPTKDM4EHTTATMTP53
SCHEMBL2432565 0.87 MAPT (0.40) MAPTKDM4EHTTATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO disclosed