SCHEMBL6816115

SCHEMBL6816115

O=C(Nc1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1)c1csnn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.60
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
LMNA P02545 5/20 0.58
ALOX12 P18054 2/20 0.58
ALDH1A1 P00352 5/20 0.56
HTT P42858 2/20 0.56
HSP90AA1 P07900 1/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 2/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 1/20 0.52
CNR1 P21554 2/20 0.51
THRB P10828 1/20 0.50
GAA P10253 1/20 0.47

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
SCHEMBL6815912 0.91 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6819639 0.90 LMNA (0.54) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6814990 0.90 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6816229 0.90 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6815867 0.90 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6816530 0.89 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6811640 0.88 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6819733 0.88 MAPT (0.64) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6815670 0.87 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6814757 0.87 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA

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 4 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-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed