SCHEMBL7863607

SCHEMBL7863607

O=C(Nc1ccc(N(S)C(=O)NCCc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
TLR8 Q9NR97 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 3/20 0.39
HTT P42858 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HPGD P15428 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
SCHEMBL7569442 0.87 LMNA (0.48) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7566806 0.87 LMNA (0.48) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7784444 0.85 NPC1 (0.49) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6816350 0.83 LMNA (0.57) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7593322 0.83 RAB9A (0.45) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7161986 0.82 RAB9A (0.48) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7848325 0.81 MEN1 (0.45) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7863605 0.80 RAB9A (0.52) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6815341 0.80 LMNA (0.46) LMNARAB9ANPC1TLR8ALDH1A1
SCHEMBL7593650 0.79 TLR8 (0.49) LMNARAB9ANPC1TLR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1137632-A1 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