SCHEMBL3715157

SCHEMBL3715157

O=CCc1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 8/20 0.60
USP47 Q96K76 4/20 0.60
USP10 Q14694 1/20 0.60
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
PDE7A Q13946 2/20 0.39
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HSPB1 P04792 2/20 0.34
IDO1 P14902 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3716037 0.79 USP7 (0.37) USP7USP47USP10TDP1KDM4E
SCHEMBL3717157 0.79 USP7 (0.69) USP7USP47TDP1PDE7AMAPT
SCHEMBL3716798 0.77 USP7 (0.59) USP7USP47TDP1PDE7AKDM4E
SCHEMBL3715105 0.77 USP7 (0.45) USP7USP47USP10TDP1PDE7A
SCHEMBL28903536 0.76 USP7 (0.60) USP7USP47USP10TDP1ATM
SCHEMBL2680882 0.76 USP7 (0.80) USP7USP47USP10TDP1ATM
SCHEMBL3714971 0.75 USP7 (0.48) USP7USP47USP10TDP1PDE7A
SCHEMBL3715754 0.75 USP7 (0.72) USP7USP47TDP1PDE7AKDM4E
SCHEMBL3720903 0.75 USP7 (0.43) USP7USP47TDP1PDE7AKDM4E
SCHEMBL29493045 0.75 USP7 (1.00) USP7USP47USP10TDP1ATM

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