SCHEMBL7566619

SCHEMBL7566619

CC(=O)Nc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.81
ALDH1A1 P00352 6/20 0.81
RAB9A P51151 2/20 0.81
NPC1 O15118 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
KMT2A Q03164 7/20 0.71
GAA P10253 4/20 0.71
HTT P42858 2/20 0.71
LMNA P02545 2/20 0.71
ALOX12 P18054 1/20 0.71
MEN1 O00255 4/20 0.68
POLB P06746 3/20 0.68
TP53 P04637 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61

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
SCHEMBL7597335 0.86 MAPT (0.73) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7785670 0.85 MAPT (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7782533 0.85 MAPT (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6816535 0.84 MAPT (0.77) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6816542 0.83 MAPT (0.74) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL22289694 0.82 RAB9A (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7782979 0.82 MAPT (0.70) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7784348 0.82 MAPT (0.66) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7567762 0.81 MAPT (0.72) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7568843 0.80 MAPT (0.66) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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-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-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-1137647-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-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-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-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed