SCHEMBL7782953

SCHEMBL7782953

CCOc1cc(NC(=S)NCCc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
PKM P14618 1/20 0.51
GAA P10253 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 5/20 0.42
POLB P06746 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ALOX12 P18054 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL7600178 0.93 ALDH1A1 (0.44) KMT2APKMGAAL3MBTL1ALDH1A1
SCHEMBL7785911 0.92 RAB9A (0.45) KMT2APKMGAAL3MBTL1ALDH1A1
SCHEMBL7600052 0.91 RAB9A (0.48) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7785679 0.91 KMT2A (0.63) KMT2APKMGAAL3MBTL1ALDH1A1
SCHEMBL7600495 0.87 RAB9A (0.48) KMT2AGAAL3MBTL1ALDH1A1MAPT
SCHEMBL7783083 0.86 RAB9A (0.49) KMT2AGAAALDH1A1MAPTMAPK1
SCHEMBL7575153 0.85 MAPT (0.52) KMT2AGAAALDH1A1MAPTMAPK1
SCHEMBL7861394 0.85 KMT2A (0.48) KMT2APKMGAAALDH1A1MAPT
SCHEMBL7568870 0.85 RAB9A (0.48) KMT2AGAAALDH1A1MAPTRXFP1
SCHEMBL6816443 0.84 LMNA (0.52) KMT2AGAAL3MBTL1ALDH1A1MAPT

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-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
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-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-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