SCHEMBL7848322

SCHEMBL7848322

O=C(Nc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
ALDH1A1 P00352 5/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 4/20 0.57
ALOX12 P18054 1/20 0.57
KMT2A Q03164 8/20 0.55
GAA P10253 5/20 0.55
HTT P42858 3/20 0.55
MEN1 O00255 6/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 2/20 0.55
POLB P06746 1/20 0.53
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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 0.86 LMNA (0.64) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7597105 0.84 MAPT (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7595404 0.84 MAPT (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7568843 0.84 MAPT (0.66) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7863605 0.84 RAB9A (0.52) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7593320 0.84 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7569896 0.83 GAA (0.65) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7593646 0.83 RAB9A (0.58) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7848325 0.83 MEN1 (0.45) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL21022150 0.82 LMNA (0.66) MAPTRAB9ASMN1; SMN2NPC1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2000034268-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-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed