SCHEMBL14907894

SCHEMBL14907894

COc1cc([N+](=O)[O-])ccc1-c1nnc(SCC(=O)O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 5/20 0.56
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
AMY1A P0DUB6 2/20 0.43
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GLA P06280 1/20 0.41
TYMP P19971 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP1 Q9P0U3 1/20 0.41

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
SCHEMBL16171075 0.91 GRK6 (0.46) GRK6ALDH1A1MAPTMEN1KMT2A
SCHEMBL14907962 0.86 GRK6 (0.67) GRK6ALDH1A1MAPTMEN1KMT2A
SCHEMBL14907809 0.83 GRK6 (0.48) GRK6ALDH1A1MAPTMEN1KMT2A
SCHEMBL16171076 0.83 GRK6 (0.55) GRK6ALDH1A1MEN1KMT2A
SCHEMBL14907829 0.82 GRK6 (0.64) GRK6ALDH1A1MAPTMEN1KMT2A
SCHEMBL17213086 0.82 GRK6 (0.54) GRK6ALDH1A1MEN1KMT2A
SCHEMBL14907896 0.81 GRK6 (0.43) GRK6ALDH1A1MAPTGAA
SCHEMBL21763940 0.81 GRK6 (0.40) GRK6ALDH1A1MAPT
SCHEMBL14907807 0.81 GRK6 (0.49) GRK6ALDH1A1
SCHEMBL16171102 0.80 GRK6 (0.56) GRK6ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO disclosed