SCHEMBL27554258

SCHEMBL27554258

CC(N=[N+]=[N-])c1ccc(NC(=S)Nc2ccc(NC(=O)c3ccccc3F)cc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
TDP1 Q9NUW8 2/20 0.46
PNLIP P16233 1/20 0.45
GRM4 Q14833 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PTPRC P08575 2/20 0.43
FADS1 O60427 1/20 0.43
CTSL P07711 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
SCHEMBL6814972 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6815397 0.79 FADS1 (0.66) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6811784 0.79 KMT2A (0.63) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6811328 0.78 KMT2A (0.66) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6819523 0.78 MAPT (0.68) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6815479 0.77 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6815356 0.77 MEN1 (0.63) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6816746 0.76 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6815613 0.76 KMT2A (0.58) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6815673 0.76 FADS1 (0.62) NPC1RAB9ASMN1; SMN2MAPTHPGD

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