SCHEMBL16923960

SCHEMBL16923960

O=C(O)c1cnc(-c2cc(F)ccc2[N+](=O)[O-])s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
PPARG P37231 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EIF4E P06730 5/20 0.40
NOTUM Q6P988 2/20 0.38
USP10 Q14694 1/20 0.38
USP7 Q93009 1/20 0.38
USP47 Q96K76 1/20 0.38
CASP6 P55212 1/20 0.37
EP300 Q09472 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL31341303 0.81 HDAC1 (0.45) PPARGEIF4ENOTUMHDAC3HDAC4
SCHEMBL31341240 0.79 EIF4E (0.42) PPARGEIF4ENOTUMHDAC3HDAC4
SCHEMBL16703315 0.78 HDAC1 (0.54) NOTUMHDAC3HDAC4HDAC1HDAC7
SCHEMBL31341341 0.76 MAPT (0.40) NOTUMHDAC3HDAC4HDAC1HDAC7
SCHEMBL16923859 0.75 TDP1 (0.43) ATMTDP1EIF4ECASP6
SCHEMBL16703334 0.71 PTPN11 (0.59) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL971661 0.70 TDP1 (0.46) THRBATMTDP1EIF4EUSP10
SCHEMBL6662966 0.70 HDAC1 (0.49) PPARGNOTUMHDAC1HDAC6HCAR2
SCHEMBL16703124 0.70 CSNK1D (0.53) HDAC1HDAC6
SCHEMBL27935663 0.70 XDH (0.56) PPARGTDP1HDAC1HDAC6

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-2015108038-A1 ETHYLENE GLYCOL COMPOUND 第一三共株式会社 2015-07-23 WO disclosed