SCHEMBL3720903

SCHEMBL3720903

O=CCc1cc([N+](=O)[O-])c(Sc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 5/20 0.43
PADI4 Q9UM07 1/20 0.43
USP47 Q96K76 1/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
PDE7A Q13946 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
SCHEMBL3719648 0.88 USP7 (0.43) USP7PADI4USP47MAPTALDH1A1
SCHEMBL3715750 0.88 USP7 (0.57) USP7PADI4USP47MEN1KMT2A
SCHEMBL3714784 0.86 USP47 (0.48) USP7PADI4USP47MAPTMEN1
SCHEMBL27154247 0.86 PDE7A (0.44) USP7PADI4USP47MAPTALDH1A1
SCHEMBL27144841 0.85 USP7 (0.43) USP7PADI4USP47MAPTMEN1
SCHEMBL3719961 0.85 USP7 (0.40) USP7PADI4USP47MAPTTXNRD1
SCHEMBL3717084 0.84 USP7 (0.46) USP7PADI4USP47MAPTTDP1
SCHEMBL3723562 0.84 USP47 (0.43) USP7PADI4USP47MAPTMEN1
SCHEMBL3712491 0.82 USP7 (0.56) USP7PADI4USP47PDE7A
SCHEMBL3719652 0.80 USP7 (0.60) USP7PADI4USP47MAPTMEN1

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