SCHEMBL7596044

SCHEMBL7596044

O=C(Nc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.68
MAPT P10636 9/20 0.65
ALDH1A1 P00352 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 3/20 0.60
ALOX12 P18054 1/20 0.60
MEN1 O00255 6/20 0.59
POLB P06746 1/20 0.59
HTT P42858 2/20 0.58
GAA P10253 2/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 1/20 0.58
PLA2G1B P04054 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56

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
SCHEMBL7566054 0.90 MAPT (0.67) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7782979 0.89 MAPT (0.70) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7785670 0.88 MAPT (0.79) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7782533 0.88 MAPT (0.79) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7569819 0.87 KMT2A (0.64) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7568549 0.87 KMT2A (0.61) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7567762 0.83 MAPT (0.72) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7574135 0.82 MAPT (0.67) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7569043 0.82 MAPT (0.81) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL7596047 0.81 KMT2A (0.51) KMT2AMAPTALDH1A1NPC1RAB9A

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 9 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-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-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-2000034238-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed