SCHEMBL6814722

SCHEMBL6814722

O=C(Nc1ccc(NC(=S)NCCNc2ccccc2)cc1)c1csnn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
ALDH1A1 P00352 7/20 0.64
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
LMNA P02545 3/20 0.54
TP53 P04637 4/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 2/20 0.49
KDR P35968 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABAT P80404 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
SCHEMBL6814682 0.86 ALDH1A1 (0.79) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6815912 0.86 MAPT (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6819581 0.84 MAPT (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6815382 0.84 MAPT (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6816140 0.83 MAPT (0.63) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6816001 0.83 MAPT (0.57) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6816662 0.83 MAPT (0.57) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6811687 0.83 MAPT (0.57) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6814899 0.82 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6814963 0.81 MAPT (0.54) MAPTALDH1A1KMT2AMEN1LMNA

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