SCHEMBL6811642

SCHEMBL6811642

O=C(Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1)c1csnn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 6/20 0.63
MEN1 O00255 5/20 0.63
LMNA P02545 4/20 0.63
HPGD P15428 2/20 0.63
TP53 P04637 3/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL6814553 0.90 MAPT (0.77) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6814607 0.85 MAPT (0.57) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6811667 0.84 TP53 (0.59) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6815363 0.83 LMNA (0.65) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6815799 0.82 MAPT (0.59) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6814682 0.82 ALDH1A1 (0.79) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6814574 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6815872 0.81 TP53 (0.62) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6815847 0.81 THRB (0.82) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6810924 0.80 THRB (0.65) ALDH1A1KMT2AMAPTMEN1LMNA

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-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
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed