SCHEMBL6814801

SCHEMBL6814801

CN(C)c1cc(Cl)cc(NC(=S)Nc2ccc(NC(=O)c3csnn3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.55
LMNA P02545 4/20 0.54
ALDH1A1 P00352 9/20 0.54
TP53 P04637 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 10/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL6815074 0.89 THRB (0.65) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6810924 0.89 THRB (0.65) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815252 0.87 THRB (0.57) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6811902 0.85 MAPT (0.61) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815056 0.85 LMNA (0.72) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL7661565 0.84 THRB (0.60) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6816159 0.83 THRB (0.58) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815363 0.82 LMNA (0.65) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6815847 0.82 THRB (0.82) THRBLMNAALDH1A1TP53RAB9A
SCHEMBL6816161 0.81 TP53 (0.58) 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 5 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-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed