SCHEMBL27484292

SCHEMBL27484292

CC(C)(Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)OC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.52
KCNK3 O14649 3/20 0.48
KCNK9 Q9NPC2 3/20 0.48
F2R P25116 1/20 0.47
PTPRC P08575 1/20 0.46
PTGES O14684 7/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27484285 0.86 TDP1 (0.57) LMNAMAPTTDP1
SCHEMBL27727249 0.81 PPARA (0.53) GAANR1H4MAPT
SCHEMBL27485010 0.80 KMT2A (0.41) LMNANR1H4MAPTTDP1
SCHEMBL27485018 0.79 HTT (0.57) LMNA
SCHEMBL678924 0.77 PTGS1 (0.72) PTGS1KCNK3KCNK9F2RPTPRC
SCHEMBL7081238 0.77 RXFP1 (0.57) PTGS1KCNK3KCNK9F2RPTPRC
SCHEMBL27484976 0.75 TDP1 (0.55) LMNAMAPTTDP1
SCHEMBL21652266 0.75 PTGES (0.62) PTGS1KCNK3KCNK9F2RPTPRC
SCHEMBL27469807 0.75 RAB9A (0.56) GAAMAPT
SCHEMBL8363754 0.75 KCNK3 (0.64) PTGS1KCNK3KCNK9F2RPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN disclosed