SCHEMBL7745941

SCHEMBL7745941

CCCC(N)(CCC)C(=O)Nc1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
MAPT P10636 7/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 4/20 0.45
PKM P14618 1/20 0.44
RORC P51449 1/20 0.43
AHR P35869 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6815638 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL6811738 0.86 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL6819492 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7745933 0.80 MEN1 (0.36) KMT2AMEN1POLBRORCSMN1; SMN2
SCHEMBL6811020 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7161458 0.79 GAA (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL6814846 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL27470792 0.78 MEN1 (0.49) MAPTKMT2AMEN1MAOASMN1; SMN2
SCHEMBL6818980 0.76 POLB (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL6814926 0.76 POLB (0.63) ALDH1A1MAPTKMT2AMEN1KDM4E

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 12 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
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP 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
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US 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
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed