SCHEMBL6811235

SCHEMBL6811235

CN(C)c1cc(CCNC(=S)Nc2ccc(NC(=O)c3csnn3)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.43
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 2/20 0.38
HTT P42858 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL6814058 0.91 MAPT (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6816271 0.91 MAPT (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815947 0.88 MAPT (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815254 0.86 MEN1 (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6811902 0.85 MAPT (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815670 0.84 MAPT (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814745 0.82 MAPT (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814080 0.81 MAPT (0.63) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6811566 0.81 TLR8 (0.48) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6810885 0.80 MAPT (0.50) MAPTMEN1KMT2AALDH1A1LMNA

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 8 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-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed