SCHEMBL14439832

SCHEMBL14439832

C=CCn1c(COCc2ccccc2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6970754 0.93 TDP1 (0.34) VCPTDP1LMNAAPOBEC3GMEN1
SCHEMBL6963914 0.90 NPC1 (0.38) LMNAAPOBEC3GMEN1KMT2AALDH1A1
SCHEMBL14439828 0.89 TDP1 (0.40) VCPTDP1KMT2ANPC1RAB9A
SCHEMBL6966496 0.88 VCP (0.37) VCPTDP1NPC1RAB9AMAPT
SCHEMBL14439829 0.87 VCP (0.36) VCPTDP1NPC1RAB9AMAPT
SCHEMBL6965896 0.87 VCP (0.36) VCPTDP1NPC1RAB9AMAPT
SCHEMBL14439841 0.87 VCP (0.36) VCPTDP1NPC1RAB9AMAPT
SCHEMBL8109133 0.85 VCP (0.35) VCPTDP1MAPTTP53SMN1; SMN2
SCHEMBL14439830 0.85 TP53 (0.39) VCPTDP1MEN1KMT2ANPC1
SCHEMBL6973959 0.85 VCP (0.35) VCPTDP1NPC1RAB9AMAPT

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