SCHEMBL7782533

SCHEMBL7782533

O=C(Nc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.79
ALDH1A1 P00352 4/20 0.79
RAB9A P51151 3/20 0.79
NPC1 O15118 2/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
KMT2A Q03164 7/20 0.70
MEN1 O00255 5/20 0.70
POLB P06746 1/20 0.70
LMNA P02545 2/20 0.69
ALOX12 P18054 1/20 0.69
HTT P42858 2/20 0.66
GAA P10253 2/20 0.66
TP53 P04637 1/20 0.65
MAPK1 P28482 1/20 0.65
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
HDAC1 Q13547 1/20 0.58
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
NAMPT P43490 2/20 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
SCHEMBL7785670 1.00 MAPT (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7567762 0.95 MAPT (0.72) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7569043 0.94 MAPT (0.81) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7782979 0.94 MAPT (0.70) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7784395 0.93 MAPT (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7574135 0.91 MAPT (0.67) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7843702 0.91 MAPT (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7598228 0.91 MAPT (0.73) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7568190 0.91 MAPT (0.66) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7777594 0.89 MAPT (0.70) 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 5 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-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP 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