SCHEMBL6811191

SCHEMBL6811191

CC(=O)Nc1ccc(NC(=S)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 5/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
POLB P06746 2/20 0.55
EPHX1 P07099 2/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.50
RORC P51449 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDR P35968 1/20 0.49
HTT P42858 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL28875490 0.91 KDR (0.57) ALDH1A1MAPTKMT2AMEN1EPHX1
SCHEMBL6815322 0.89 LMNA (0.65) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6815026 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1EPHX1
SCHEMBL6815034 0.83 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6815301 0.82 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6815977 0.81 KMT2A (0.86) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6811196 0.80 RORC (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6814385 0.80 SMN1; SMN2 (0.67) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6819492 0.80 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL462753 0.79 KDR (0.76) ALDH1A1MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN claimed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US claimed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
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-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-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 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-2000034268-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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed