SCHEMBL14907730

SCHEMBL14907730

Cc1cccc(Oc2ccc(-c3nnc(SCC(=O)O)[nH]3)cc2[N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 7/20 0.71
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
CHEK2 O96017 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TBXA2R P21731 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL14907891 0.84 GRK6 (0.67) GRK6MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18552380 0.84 GRK6 (0.50) GRK6LMNAMAPTALDH1A1GAA
SCHEMBL17213167 0.83 GRK6 (0.47) GRK6LMNAALDH1A1GAA
SCHEMBL21763980 0.82 GRK6 (0.49) GRK6LMNAMAPTALDH1A1HPGD
SCHEMBL17212977 0.81 GRK6 (0.56) GRK6
SCHEMBL14907940 0.81 GRK6 (0.65) GRK6HTTMEN1KMT2ASMN1; SMN2
SCHEMBL17213028 0.80 GRK6 (0.49) GRK6POLBMEN1KMT2AMAPT
SCHEMBL6405045 0.78 GRK6 (0.60) GRK6KMT2AMAPTALDH1A1HPGD
SCHEMBL14907758 0.77 GRK6 (0.64) GRK6SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL17213064 0.75 GRK6 (0.48) GRK6CHEK2KMT2AALDH1A1GAA

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-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO disclosed