SCHEMBL17213136

SCHEMBL17213136

Cn1ccc(-c2cc(-c3nnc(SCC(=O)O)[nH]3)cc([N+](=O)[O-])c2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 8/20 0.40
TYMP P19971 1/20 0.39
CYP2C19 P33261 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MAPT P10636 3/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17213122 0.91 KDM4E (0.33) GRK6TYMPCYP2C19ALDH1A1
SCHEMBL18552252 0.87 GRK6 (0.37) GRK6TYMPALDH1A1SMN1; SMN2
SCHEMBL17213094 0.83 GRK6 (0.37) GRK6TYMPCYP2C19MAPTALDH1A1
SCHEMBL21763927 0.82 GRK6 (0.33) GRK6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL17213092 0.82 GRK6 (0.44) GRK6TYMPMAPTPLA2G1BATG4B
SCHEMBL17213052 0.81 CHEK1 (0.39) GRK6TYMPCYP2C19MAPTPLA2G1B
SCHEMBL17213118 0.81 TYMP (0.44) GRK6TYMPMAPTPLA2G1BATG4B
SCHEMBL17212979 0.81 TYMP (0.40) GRK6TYMPCYP2C19MAPTPLA2G1B
SCHEMBL17213032 0.80 GRK6 (0.44) GRK6TYMPMAPTPLA2G1BATG4B
SCHEMBL17213154 0.80 GRK6 (0.39) GRK6TYMPCYP2C19MAPTPLA2G1B

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-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