SCHEMBL14439841

SCHEMBL14439841

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC5A2 P31639 1/20 0.33
DHODH Q02127 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
TACR1 P25103 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
ADAMTS5 Q9UNA0 2/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30

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 0.92 TDP1 (0.40) VCPTDP1SLC5A2DHODHTP53
SCHEMBL6966496 0.91 VCP (0.37) VCPTDP1SLC5A2DHODHTP53
SCHEMBL14439829 0.90 VCP (0.36) VCPTDP1SLC5A2DHODHTP53
SCHEMBL6965896 0.90 VCP (0.36) VCPTDP1SLC5A2DHODHTP53
SCHEMBL6973959 0.88 VCP (0.35) VCPTDP1SLC5A2DHODHTP53
SCHEMBL14439830 0.88 TP53 (0.39) VCPTDP1DHODHTP53MAPT
SCHEMBL8109133 0.88 VCP (0.35) VCPTDP1SLC5A2DHODHTP53
SCHEMBL6972409 0.88 VCP (0.35) VCPTDP1SLC5A2DHODHTP53
SCHEMBL14439832 0.87 VCP (0.35) VCPTDP1SLC5A2DHODHTP53
SCHEMBL5853114 0.87 TDP1 (0.37) VCPTDP1SLC5A2DHODHTP53

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