SCHEMBL11057286

SCHEMBL11057286

O=[N+]([O-])c1ccc2cc3ccc(O)cc3cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
ALOX15 P16050 1/20 0.55
GPR35 Q9HC97 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
GUCY1B2 O75343 1/20 0.46
GUCY1A2 P33402 1/20 0.46
GUCY1A1 Q02108 1/20 0.46
GUCY1B1 Q02153 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL11051866 1.00 ALDH1A1 (0.55) ALDH1A1TSHRALOX15GPR35TP53
SCHEMBL9779126 0.96 ALDH1A1 (0.59) ALDH1A1TSHRALOX15GPR35TP53
SCHEMBL28338203 0.88 TSHR (0.54) ALDH1A1TSHRALOX15GPR35TP53
SCHEMBL11059195 0.84 GUCY1B2 (0.54) ALDH1A1TSHRALOX15GPR35TP53
SCHEMBL28122579 0.83 TSHR (0.59) ALDH1A1TSHRALOX15GPR35TP53
SCHEMBL2760792 0.82 LMNA (0.54) ALDH1A1TSHRALOX15SMN1; SMN2MAPT
SCHEMBL5167846 0.82 LMNA (0.54) ALDH1A1TSHRALOX15SMN1; SMN2MAPT
SCHEMBL31677837 0.82 LMNA (0.54) ALDH1A1TSHRALOX15SMN1; SMN2MAPT
SCHEMBL2800816 0.81 ESR1 (0.62) ALDH1A1TSHRALOX15MAPTMEN1
SCHEMBL3829978 0.81 TSHR (0.56) ALDH1A1TSHRALOX15GPR35TP53

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
US-4474776-A Anthryl substituted phosphorus compounds as insecticides VELSICOL CHEMICAL CORPORATION (US) 1984-10-02 US disclosed