SCHEMBL7782955

SCHEMBL7782955

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
EP300 Q09472 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7600182 0.93 PTPN1 (0.42) L3MBTL1GAAKMT2AMEN1MAPT
SCHEMBL7785913 0.92 RAB9A (0.39) L3MBTL1GAAKMT2AMAPTALDH1A1
SCHEMBL7600058 0.91 NPC1 (0.42) L3MBTL1GAAKMT2AMAPTNPC1
SCHEMBL7785682 0.91 L3MBTL1 (0.51) L3MBTL1GAAKMT2AMEN1MAPT
SCHEMBL7600498 0.88 RAB9A (0.42) L3MBTL1KMT2AMAPTALDH1A1NPC1
SCHEMBL7783085 0.87 RAB9A (0.43) L3MBTL1KMT2AMAPTALDH1A1NPC1
SCHEMBL7575161 0.86 EP300 (0.42) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL7861397 0.85 RAB9A (0.40) L3MBTL1GAAKMT2AMEN1MAPT
SCHEMBL7568874 0.85 RAB9A (0.41) RXFP1KMT2AMEN1MAPTALDH1A1
SCHEMBL6816447 0.84 LMNA (0.50) L3MBTL1GAARXFP1KMT2AMEN1

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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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-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