SCHEMBL14439830

SCHEMBL14439830

CC(C)c1nc(COCc2ccccc2)n(COc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
MAPT P10636 3/20 0.39
VCP P55072 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHODH Q02127 2/20 0.32
POLB P06746 3/20 0.31

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
SCHEMBL14439828 0.90 TDP1 (0.40) TP53MAPTVCPTDP1KMT2A
SCHEMBL6966496 0.89 VCP (0.37) TP53MAPTVCPTDP1NPC1
SCHEMBL14439829 0.88 VCP (0.36) TP53MAPTVCPTDP1RECQL
SCHEMBL14439841 0.88 VCP (0.36) TP53MAPTVCPTDP1NPC1
SCHEMBL6965896 0.88 VCP (0.36) TP53MAPTVCPTDP1RECQL
SCHEMBL6973959 0.86 VCP (0.35) TP53MAPTVCPTDP1RECQL
SCHEMBL6972409 0.86 VCP (0.35) TP53MAPTVCPTDP1RECQL
SCHEMBL8109133 0.86 VCP (0.35) TP53MAPTVCPTDP1SMN1; SMN2
SCHEMBL14439857 0.86 DHODH (0.39) TP53MAPTTDP1SMN1; SMN2DHODH
SCHEMBL6957630 0.86 DHODH (0.39) TP53MAPTTDP1SMN1; SMN2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed