SCHEMBL3717484

SCHEMBL3717484

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 5/20 0.41
USP47 Q96K76 2/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
FBP1 P09467 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
KIF11 P52732 1/20 0.34
PADI4 Q9UM07 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NR1D1 P20393 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL3723437 0.89 CYP3A4 (0.38) USP7USP47MAPTLMNAPADI4
SCHEMBL3719961 0.87 USP7 (0.40) USP7USP47MAPTLMNAFBP1
SCHEMBL3719652 0.83 USP7 (0.60) USP7USP47MAPTLMNAPADI4
SCHEMBL3723562 0.79 USP47 (0.43) USP7USP47MAPTLMNAPADI4
SCHEMBL3715105 0.79 USP7 (0.45) USP7USP47MAPTLMNAHTT
SCHEMBL3720903 0.77 USP7 (0.43) USP7USP47MAPTLMNAPADI4
SCHEMBL3717084 0.77 USP7 (0.46) USP7USP47MAPTLMNAPADI4
SCHEMBL3714784 0.77 USP47 (0.48) USP7USP47MAPTPADI4HTT
SCHEMBL2682523 0.76 USP47 (0.70) USP7USP47MAPTLMNAPADI4
SCHEMBL3719648 0.76 USP7 (0.43) USP7USP47MAPTLMNAPADI4

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 claimed