SCHEMBL27627286

SCHEMBL27627286

CCc1cc([N+](=O)[O-])c(C)c2nn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
APEX1 P27695 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOS2 P35228 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8623917 0.75 GPR35 (0.39) MEN1KMT2ACYP1A2TDP1SMN1; SMN2
SCHEMBL1020447 0.73 MEN1 (0.47) MEN1KMT2AGAACYP1A2TDP1
SCHEMBL10625827 0.73 GRIN2D (0.41) MEN1KMT2AGAACYP1A2TDP1
SCHEMBL3282433 0.72 GAA (0.35) MEN1KMT2AGAACYP1A2TDP1
Silver SCHEMBL9173734 0.72 GRIN2D (0.40) MEN1KMT2AGAACYP1A2TDP1
SCHEMBL9173743 0.72 GRIN2D (0.40) MEN1KMT2AGAACYP1A2TDP1
SCHEMBL27647699 0.69 TDP1 (0.44) MEN1KMT2ACYP1A2TDP1SMN1; SMN2
SCHEMBL15629853 0.68 POLB (0.34) NOS3NOS1NOS2POLBHTT
SCHEMBL10661039 0.68 CYP1A2 (0.35) MEN1KMT2AGAACYP1A2TDP1
SCHEMBL3725853 0.67 MAPT (0.42) MEN1KMT2ACYP1A2TDP1SMN1; SMN2

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
CN-1761787-A Oxidation system comprising macrocyclic metal complexes, method for the production and use thereof LANXESS B V (NL) 2006-04-19 CN disclosed