SCHEMBL6814939

SCHEMBL6814939

O=C(Nc1ccc(NC(=S)NCCOc2ccc(I)cc2)cc1)c1csnn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
TP53 P04637 5/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 8/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 2/20 0.43
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6811687 0.91 MAPT (0.57) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6811546 0.90 MAPT (0.54) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6812046 0.89 MAPT (0.48) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6816097 0.86 MAPT (0.52) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6816416 0.86 MAPT (0.51) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6814982 0.84 THRB (0.56) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6815325 0.83 MAPT (0.48) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6813903 0.83 MAPT (0.48) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6814894 0.82 SMN1; SMN2 (0.52) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL6814870 0.81 SMN1; SMN2 (0.51) MAPTTP53MEN1KMT2AALDH1A1

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