SCHEMBL14439829

SCHEMBL14439829

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GRM5 P41594 4/20 0.32
DHODH Q02127 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
RHEB Q15382 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TACR1 P25103 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SLC5A2 P31639 1/20 0.31
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
RECQL P46063 1/20 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
SCHEMBL8109133 0.92 VCP (0.35) VCPTDP1GRM5DHODHADAMTS5
SCHEMBL14439828 0.92 TDP1 (0.40) VCPTDP1DHODHTP53MAPT
SCHEMBL6966496 0.91 VCP (0.37) VCPTDP1DHODHADAMTS5MMP2
SCHEMBL14439831 0.90 HDAC1 (0.40) VCPTDP1GRM5DHODHADAMTS5
SCHEMBL6973959 0.90 VCP (0.35) VCPTDP1DHODHADAMTS5MMP2
SCHEMBL6965896 0.90 VCP (0.36) VCPTDP1DHODHADAMTS5MMP2
SCHEMBL14439841 0.90 VCP (0.36) VCPTDP1DHODHADAMTS5MMP2
SCHEMBL6961635 0.88 TLR8 (0.36) VCPTDP1DHODHADAMTS5MMP2
SCHEMBL6968770 0.88 TDP1 (0.35) VCPTDP1GRM5ADAMTS5MMP2
SCHEMBL14439830 0.88 TP53 (0.39) VCPTDP1DHODHTP53MAPT

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