SCHEMBL7784440

SCHEMBL7784440

O=C(Nc1ccc(N(S)C(=O)NCCc2ccccc2C(F)(F)F)cc1)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.50
NPC1 O15118 10/20 0.49
RAB9A P51151 10/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TLR8 Q9NR97 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL6819574 0.90 NPC1 (0.55) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7784404 0.87 NPC1 (0.52) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7600191 0.86 NPC1 (0.51) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7777714 0.86 NPC1 (0.54) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7777610 0.86 SMN1; SMN2 (0.51) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7593650 0.84 TLR8 (0.49) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7600005 0.83 SMN1; SMN2 (0.51) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6816658 0.83 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL7784439 0.83 CNR1 (0.55) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7848325 0.82 MEN1 (0.45) CNR1NPC1RAB9ASMN1; SMN2MAPT

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-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING 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
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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed