SCHEMBL6819280

SCHEMBL6819280

O=C(Nc1ccc(NC(=S)NCc2cc(F)cc(F)c2)cc1)c1csnn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
THRB P10828 2/20 0.47
HDAC1 Q13547 2/20 0.46
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL6816400 0.91 HDAC1 (0.56) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6816007 0.91 MAPT (0.59) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6814993 0.90 MEN1 (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6810885 0.89 MAPT (0.50) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6814900 0.88 THRB (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6819815 0.87 MAPT (0.50) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6815723 0.87 LMNA (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6816140 0.86 MAPT (0.63) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6814080 0.86 MAPT (0.63) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6815402 0.85 MEN1 (0.51) LMNAMAPTALDH1A1MEN1KMT2A

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