SCHEMBL3719652

SCHEMBL3719652

O=CCc1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 10/20 0.60
IDO1 P14902 1/20 0.46
PADI4 Q9UM07 1/20 0.43
USP47 Q96K76 4/20 0.42
PDE7A Q13946 3/20 0.42
PDE7B Q9NP56 1/20 0.40
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3712491 0.88 USP7 (0.56) USP7IDO1PADI4USP47PDE7A
SCHEMBL3715750 0.86 USP7 (0.57) USP7IDO1PADI4USP47PDE7A
SCHEMBL3717084 0.84 USP7 (0.46) USP7PADI4USP47PDE7ALMNA
SCHEMBL3712957 0.83 USP7 (0.58) USP7PADI4USP47
SCHEMBL3717484 0.83 USP7 (0.41) USP7PADI4USP47LMNAMAPT
SCHEMBL3723562 0.82 USP47 (0.43) USP7PADI4USP47PDE7ALMNA
SCHEMBL3717157 0.81 USP7 (0.69) USP7IDO1PADI4USP47PDE7A
SCHEMBL3720903 0.80 USP7 (0.43) USP7PADI4USP47PDE7ALMNA
SCHEMBL3715754 0.80 USP7 (0.72) USP7PADI4USP47PDE7ALMNA
SCHEMBL3714784 0.80 USP47 (0.48) USP7PADI4USP47PDE7APDE7B

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
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO disclosed