SCHEMBL14907869

SCHEMBL14907869

O=C(O)CSc1nnc(-c2cccc([N+](=O)[O-])c2O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GRK6 P43250 8/20 0.41
APEX1 P27695 2/20 0.38
ERN1 O75460 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TYMP P19971 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL16171127 0.89 GRK6 (0.41) GRK6KMT2AALDH1A1TDP1MAPT
SCHEMBL14907786 0.81 GRK6 (0.61) F2F10PLGPLAUPLAT
SCHEMBL16171092 0.81 ALDH1A1 (0.51) GRK6KMT2AALDH1A1TDP1MAPT
SCHEMBL17214726 0.80 MAPT (0.43) KMT2AALDH1A1TDP1MAPK1MAPT
SCHEMBL14907758 0.77 GRK6 (0.64) GPR35GRK6APEX1ALDH1A1TYMP
SCHEMBL14907829 0.77 GRK6 (0.64) F2F10PLGPLAUPLAT
SCHEMBL14907723 0.76 GRK6 (0.67) GRK6APEX1MAPTTHRB
SCHEMBL14907941 0.75 GRK6 (0.64) GRK6KMT2AALDH1A1TDP1TYMP
SCHEMBL14907883 0.75 GRK6 (0.60) GRK6KMT2AALDH1A1TDP1MAPT
SCHEMBL14907809 0.75 GRK6 (0.48) GRK6KMT2AALDH1A1TDP1MAPT

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