SCHEMBL7784009

SCHEMBL7784009

Cc1nnsc1C(=O)O.Nc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 7/20 0.47
THRB P10828 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL11572832 0.92 LMNA (0.46) LMNAMAPTTHRBGAAPOLB
4-Chloroaniline SCHEMBL11573070 0.92 MAPT (0.57) LMNAMAPTTHRBGAAPOLB
SCHEMBL7784005 0.91 LMNA (0.44) LMNAMAPTTHRBGAAPOLB
SCHEMBL452517 0.87
SCHEMBL11575800 0.85 POLB (0.49) LMNAMAPTTHRBGAAPOLB
Hydrochloric Acid SCHEMBL6602988 0.85 LMNA (0.51) LMNAMAPTTHRBGAAPOLB
SCHEMBL11571174 0.83 MAPT (0.52) LMNAMAPTTHRBGAAPOLB
SCHEMBL11570071 0.82 POLB (0.49) LMNAMAPTTHRBGAAPOLB
SCHEMBL11571371 0.81 HTT (0.54) LMNAMAPTGAAPOLBALDH1A1
3-Chloroaniline SCHEMBL11574786 0.81 POLB (0.51) LMNAMAPTTHRBGAAPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP 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
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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