SCHEMBL6816533

SCHEMBL6816533

COC(=O)c1cccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.84
HTT P42858 2/20 0.84
KMT2A Q03164 4/20 0.79
MEN1 O00255 3/20 0.79
RAB9A P51151 5/20 0.69
NPC1 O15118 4/20 0.69
TP53 P04637 1/20 0.69
PSMD14 O00487 1/20 0.66
CACNA1B Q00975 1/20 0.66
APBA1 Q02410 1/20 0.66
LMNA P02545 2/20 0.65
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 7/20 0.63
MAPT P10636 4/20 0.63
GAA P10253 2/20 0.63
POLB P06746 1/20 0.62
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
BLM P54132 1/20 0.59
KCNK3 O14649 1/20 0.58

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
SCHEMBL6819048 0.91 RAB9A (0.72) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL14096333 0.89 HTT (0.77) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL6816359 0.87 ALDH1A1 (0.67) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL7162285 0.85 NPC1 (0.83) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL7165655 0.83 ALDH1A1 (0.77) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL2834430 0.82 RAB9A (1.00) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL7162261 0.82 ALDH1A1 (0.79) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL15798361 0.81 SMN1; SMN2 (0.80) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL7662848 0.81 RAB9A (0.81) SMN1; SMN2HTTKMT2AMEN1RAB9A
SCHEMBL7165404 0.81 MAPK1 (0.60) SMN1; SMN2HTTKMT2AMEN1RAB9A

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 21 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
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-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US 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
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 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-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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