SCHEMBL3714784

SCHEMBL3714784

O=CCc1cc([N+](=O)[O-])c(Sc2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP47 Q96K76 2/20 0.48
USP7 Q93009 7/20 0.41
PADI4 Q9UM07 1/20 0.41
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 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
SCHEMBL3720903 0.86 USP7 (0.43) USP47USP7PADI4MAPTALDH1A1
SCHEMBL3723562 0.85 USP47 (0.43) USP47USP7PADI4MAPTALDH1A1
SCHEMBL3715750 0.85 USP7 (0.57) USP47USP7PADI4TDP1PDE7A
SCHEMBL3719648 0.85 USP7 (0.43) USP47USP7PADI4MAPTALDH1A1
SCHEMBL3719961 0.82 USP7 (0.40) USP47USP7PADI4MAPTALDH1A1
SCHEMBL3717084 0.81 USP7 (0.46) USP47USP7PADI4MAPTTDP1
SCHEMBL3719652 0.80 USP7 (0.60) USP47USP7PADI4MAPTALDH1A1
SCHEMBL3712491 0.79 USP7 (0.56) USP47USP7PADI4PDE7APDE7B
SCHEMBL3716798 0.78 USP7 (0.59) USP47USP7MAPTALDH1A1TDP1
SCHEMBL3717484 0.77 USP7 (0.41) USP47USP7PADI4MAPTALDH1A1

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