SCHEMBL6814650

SCHEMBL6814650

COc1ccccc1CNC(=S)Nc1ccc(NC(=O)c2csnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 6/20 0.58
TP53 P04637 5/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 3/20 0.55
THRB P10828 1/20 0.52
QPCT Q16769 1/20 0.51
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL6814985 0.90 MAPT (0.56) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6811089 0.85 LMNA (0.59) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6819225 0.84 MAPT (0.61) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6816140 0.81 MAPT (0.63) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6814141 0.80 TP53 (0.54) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6814993 0.78 MEN1 (0.58) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL14434232 0.78 KMT2A (0.74) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6816647 0.78 MAPT (0.60) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6816528 0.78 MAPT (0.73) ALDH1A1MAPTTP53KMT2AMEN1
SCHEMBL6819514 0.78 TP53 (0.87) ALDH1A1MAPTTP53KMT2AMEN1

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