SCHEMBL7595404

SCHEMBL7595404

O=C(Nc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1)c1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
ALDH1A1 P00352 9/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.59
ALOX12 P18054 1/20 0.59
KMT2A Q03164 6/20 0.57
GAA P10253 4/20 0.57
HTT P42858 3/20 0.57
MEN1 O00255 3/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
POLB P06746 1/20 0.55
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CA1 P00915 3/20 0.50

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
SCHEMBL6816342 0.88 LMNA (0.64) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7597105 0.86 MAPT (0.61) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7568843 0.86 MAPT (0.66) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7569896 0.84 GAA (0.65) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7848322 0.84 MAPT (0.58) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7784386 0.84 MAPT (0.65) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7599854 0.84 MAPT (0.57) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7782979 0.83 MAPT (0.70) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7565661 0.82 RAB9A (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7595409 0.82 SMN1; SMN2 (0.50) 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 14 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-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-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
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-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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed