SCHEMBL7785679

SCHEMBL7785679

CCOc1cc(NC(=S)NCCc2ccc(F)cc2)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.63
PKM P14618 1/20 0.63
MAPK1 P28482 1/20 0.53
GAA P10253 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 7/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL7593296 0.92 KMT2A (0.53) KMT2APKMMAPK1GAAL3MBTL1
SCHEMBL7599785 0.91 GAA (0.61) KMT2APKMGAAMAPTMEN1
SCHEMBL7782953 0.91 KMT2A (0.51) KMT2APKMMAPK1GAAL3MBTL1
SCHEMBL7594338 0.90 RAB9A (0.53) KMT2APKMGAAL3MBTL1MAPT
SCHEMBL7782560 0.89 KMT2A (0.49) KMT2APKMGAAL3MBTL1MAPT
SCHEMBL7861394 0.89 KMT2A (0.48) KMT2APKMMAPK1GAAMAPT
SCHEMBL7784442 0.87 GAA (0.64) KMT2APKMGAAMAPTMEN1
SCHEMBL7595464 0.86 KMT2A (0.59) KMT2AGAAL3MBTL1MAPTMEN1
SCHEMBL7777692 0.84 KMT2A (0.54) KMT2APKMMAPK1GAAMAPT
SCHEMBL7575610 0.84 MAPT (0.65) KMT2AMAPK1GAAMAPTMEN1

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-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 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-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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 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
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed