SCHEMBL6815002

SCHEMBL6815002

O=C(Nc1ccc(NC(=S)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1)c1csnn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
MAPT P10636 11/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CSF1R P07333 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
EPHX1 P07099 2/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.43
RAF1 P04049 2/20 0.43
BRAF P15056 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 1/20 0.42

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
SCHEMBL6814097 0.92 MAPT (0.58) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL6816831 0.91 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL6816093 0.89 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL6816122 0.85 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL7979004 0.84 MAPT (0.71) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6811898 0.81 KDM4E (0.57) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL6815350 0.80 MAPT (0.64) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7645864 0.79 MAPT (0.55) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL7645874 0.79 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ACSF1R
SCHEMBL6815615 0.79 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 16 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
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1137632-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
EP-1137647-A1 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-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 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-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed