SCHEMBL6814879

SCHEMBL6814879

O=C(Nc1ccc(NC(=S)NCc2cccc(I)c2)cc1)c1csnn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP19A1 P11511 2/20 0.50
LMNA P02545 2/20 0.50
THRB P10828 2/20 0.48
TP53 P04637 4/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 3/20 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
SCHEMBL6815517 0.90 MAPT (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6816922 0.88 THRB (0.61) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6816400 0.87 HDAC1 (0.56) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6816140 0.87 MAPT (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL27554268 0.86 RAB9A (0.57) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6815844 0.85 MEN1 (0.63) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL7685333 0.84 THRB (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6816509 0.84 LMNA (0.51) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6814900 0.84 THRB (0.54) MAPTALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6819815 0.83 MAPT (0.50) MAPTALDH1A1MEN1KMT2ACYP19A1

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-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