SCHEMBL15920344

SCHEMBL15920344

CC(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.73
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
GPR35 Q9HC97 2/20 0.70
COMT P21964 2/20 0.70
ABCC3 O15438 1/20 0.70
ABCC4 O15439 1/20 0.70
ABCB11 O95342 1/20 0.70
LMNA P02545 1/20 0.70
CYP2C9 P11712 1/20 0.70
ALDH1A1 P00352 1/20 0.68
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.68
RECQL P46063 1/20 0.68
EGFR P00533 1/20 0.67

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
SCHEMBL8848281 0.88 FTO (0.74) FTOMEN1KMT2AGPR35COMT
SCHEMBL8848272 0.88 FTO (0.74) FTOMEN1KMT2AGPR35COMT
SCHEMBL8848276 0.88 FTO (0.74) FTOMEN1KMT2AGPR35COMT
SCHEMBL20100865 0.88 FTO (0.74) FTOMEN1KMT2AGPR35COMT
SCHEMBL28720710 0.86 FTO (0.73) FTOMEN1KMT2AGPR35COMT
SCHEMBL20100868 0.86 FTO (0.73) FTOMEN1KMT2AGPR35COMT
SCHEMBL16680886 0.86 FTO (0.73) FTOMEN1KMT2AGPR35COMT
SCHEMBL4940495 0.86 FTO (0.73) FTOMEN1KMT2AGPR35COMT
SCHEMBL4940498 0.86 FTO (0.73) FTOMEN1KMT2AGPR35COMT
SCHEMBL29493672 0.86 FTO (0.80) FTOMEN1KMT2AGPR35COMT

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-2014115098-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-07-31 WO disclosed