SCHEMBL6816771

SCHEMBL6816771

O=C(Nc1ccc(NC(=O)c2csnn2)cc1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.68
LMNA P02545 4/20 0.63
ALDH1A1 P00352 6/20 0.63
TP53 P04637 4/20 0.63
RAB9A P51151 3/20 0.63
HPGD P15428 2/20 0.63
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 8/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDR P35968 1/20 0.50
P2RY1 P47900 1/20 0.50

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
SCHEMBL6810924 0.89 THRB (0.65) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815074 0.86 THRB (0.65) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL7661565 0.82 THRB (0.60) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815063 0.82 ALDH1A1 (0.60) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815056 0.81 LMNA (0.72) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6816159 0.81 THRB (0.58) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6811359 0.81 THRB (0.55) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815847 0.79 THRB (0.82) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815363 0.79 LMNA (0.65) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL2859096 0.79 LMNA (0.73) THRBLMNAALDH1A1TP53RAB9A

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 9 patents. 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-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed