SCHEMBL21764068

SCHEMBL21764068

CONc1cc(-c2nnc(SCC(=O)O)[nH]2)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 8/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VCP P55072 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPK14 Q16539 1/20 0.35
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
S1PR1 P21453 2/20 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
SCHEMBL17213085 0.83 HSD17B10 (0.41) GRK6ALOX15HSD17B10KDM4EMAPK14
SCHEMBL17212977 0.80 GRK6 (0.56) GRK6ALOX15HSD17B10
SCHEMBL21763955 0.78 GRK6 (0.44) GRK6KDM4EALDH1A1MEN1KMT2A
SCHEMBL14907799 0.76 GRK6 (0.64) GRK6HSD17B10KDM4EALDH1A1MEN1
SCHEMBL16171061 0.76 GRK6 (0.52) GRK6KDM4EALDH1A1
SCHEMBL14907763 0.76 GRK6 (0.64) GRK6KDM4EALDH1A1
SCHEMBL21763968 0.76 STK17B (0.38) GRK6KDM4EMAPK14ALDH1A1
SCHEMBL18552387 0.74 SMN1; SMN2 (0.41) GRK6HSD17B10KDM4EALDH1A1MEN1
SCHEMBL21763928 0.74 GRK6 (0.46) GRK6KDM4EENPP1ALDH1A1
SCHEMBL14907789 0.74 GRK6 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134390-B1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-02-26 EP disclosed