SCHEMBL7785682

SCHEMBL7785682

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 6/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 4/20 0.46
MRGPRX1 Q96LB2 3/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BLM P54132 1/20 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
SCHEMBL7593301 0.93 PTPN1 (0.47) L3MBTL1GAAKMT2APKMMEN1
SCHEMBL7599793 0.91 KMT2A (0.48) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL7782955 0.91 L3MBTL1 (0.47) L3MBTL1GAAKMT2APKMMEN1
SCHEMBL7594340 0.91 NPC1 (0.48) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL7782562 0.90 L3MBTL1 (0.41) L3MBTL1GAAKMT2APKMMEN1
SCHEMBL7861397 0.89 RAB9A (0.40) L3MBTL1GAAKMT2APKMMEN1
SCHEMBL7595480 0.87 RAB9A (0.46) L3MBTL1GAAKMT2AALDH1A1MAPT
SCHEMBL7777694 0.86 RAB9A (0.45) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL7575615 0.85 RAB9A (0.46) GAAKMT2AMEN1ALDH1A1NPC1
SCHEMBL7785813 0.84 L3MBTL1 (0.40) L3MBTL1GAAKMT2AMEN1ALDH1A1

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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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-2000034269-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