SCHEMBL6815754

SCHEMBL6815754

CN(c1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1Cl)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 7/20 0.49
SCN1A P35498 5/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
CHRM4 P08173 1/20 0.44
TNIK Q9UKE5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CCR5 P51681 1/20 0.43
GAA P10253 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
SCHEMBL6814761 0.91 SCN8A (0.51) SCN8ASCN1ALMNAMAPTTP53
SCHEMBL6815765 0.90 LMNA (0.53) SCN8ASCN1ALMNAMAPTTP53
SCHEMBL6815761 0.87 SCN8A (0.46) SCN8ASCN1ALMNALTA4HOPRM1
SCHEMBL6816056 0.86 SCN8A (0.47) SCN8ASCN1ALMNAMAPTTP53
SCHEMBL6815674 0.85 SMN1; SMN2 (0.47) SCN8ASCN1ALMNAMAPTTP53
SCHEMBL6811845 0.85 LMNA (0.44) LMNAMAPTSMN1; SMN2ALDH1A1CCR5
SCHEMBL6814665 0.84 SCN8A (0.51) SCN8ASCN1ALMNAMAPTTP53
SCHEMBL6815979 0.83 LMNA (0.48) LMNAMAPTSMN1; SMN2ALDH1A1CCR5
SCHEMBL7977334 0.81 LMNA (0.46) SCN8ASCN1ALMNAMAPTTP53
SCHEMBL6814767 0.78 SCN8A (0.48) SCN8ASCN1ALMNATP53LTA4H

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed