SCHEMBL3714971

SCHEMBL3714971

O=CCc1cc([N+](=O)[O-])c(Sc2cccc3ccccc23)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 8/20 0.48
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
USP47 Q96K76 5/20 0.39
PDE7A Q13946 1/20 0.38
HPRT1 P00492 1/20 0.37
TSHR P16473 1/20 0.35
CASP6 P55212 1/20 0.35
HPGD P15428 1/20 0.34
USP10 Q14694 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3716798 0.83 USP7 (0.59) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3715754 0.81 USP7 (0.72) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3723562 0.81 USP47 (0.43) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3715105 0.81 USP7 (0.45) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3712957 0.77 USP7 (0.58) USP7USP47
SCHEMBL3720858 0.76 HTT (0.39) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3714784 0.76 USP47 (0.48) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3715157 0.75 USP7 (0.60) USP7MAPTALDH1A1TDP1KDM4E
SCHEMBL3719652 0.75 USP7 (0.60) USP7MAPTALDH1A1TDP1MEN1
SCHEMBL3717157 0.75 USP7 (0.69) USP7MAPTTDP1NPSR1MAPK1

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