SCHEMBL7567706

SCHEMBL7567706

Nc1ccc(N)cc1.O=C(O)c1cc2ccccc2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.65
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.62
TSHR P16473 4/20 0.62
MAPK1 P28482 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 4/20 0.58
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
GALK1 P51570 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL155789 0.93 FLT3 (0.74) FLT3NPC1RAB9ATSHRMAPK1
Benzene SCHEMBL28107977 0.93 FLT3 (0.74) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL29460209 0.93 FLT3 (0.74) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL7567697 0.91 NPC1 (0.56) FLT3NPC1RAB9ATSHRMAPK1
Hydrochloric Acid SCHEMBL3611971 0.91 FLT3 (0.71) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL27669244 0.91 FLT3 (0.71) FLT3NPC1RAB9ATSHRMAPK1
Cyanide SCHEMBL11197227 0.87 FLT3 (0.67) FLT3NPC1RAB9ATSHRMAPK1
Methoxymethane SCHEMBL11265215 0.86 FLT3 (0.65) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL9101203 0.83 FLT3 (0.61) FLT3NPC1RAB9ATSHRMAPK1
SCHEMBL19380254 0.83 NPC1 (0.78) FLT3NPC1RAB9ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 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-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
WO-2000034238-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-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP 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