SCHEMBL7598228

SCHEMBL7598228

COc1ccc(C(=O)Nc2ccc(NC(=S)NCCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
ALDH1A1 P00352 5/20 0.71
LMNA P02545 4/20 0.71
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
FPR2 P25090 1/20 0.67
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
POLB P06746 1/20 0.66
MAOA P21397 2/20 0.63
MAOB P27338 2/20 0.63
ATM Q13315 1/20 0.63
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
ALOX12 P18054 2/20 0.58
MAPK1 P28482 2/20 0.57
TP53 P04637 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
SCHEMBL7782533 0.91 MAPT (0.79) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7785670 0.91 MAPT (0.79) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7777594 0.89 MAPT (0.70) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7569819 0.87 KMT2A (0.64) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7567762 0.86 MAPT (0.72) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7569043 0.85 MAPT (0.81) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7782979 0.85 MAPT (0.70) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7843702 0.84 MAPT (0.69) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7784395 0.84 MAPT (0.69) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7645910 0.84 MAPT (0.80) MAPTALDH1A1LMNANPC1RAB9A

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-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
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-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-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