SCHEMBL21764002

SCHEMBL21764002

CONc1cc(OC)c(O)c(-c2nnc(SCC(=O)O)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 12/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ENPP1 P22413 2/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21763928 0.86 GRK6 (0.46) GRK6ALDH1A1KDM4EENPP1SMN1; SMN2
SCHEMBL21763940 0.86 GRK6 (0.40) GRK6ALDH1A1KDM4EENPP1
SCHEMBL14907743 0.83 GRK6 (0.44) GRK6ALDH1A1KDM4EEGFRERBB2
SCHEMBL16171102 0.83 GRK6 (0.56) GRK6ALDH1A1KDM4EEGFRERBB2
SCHEMBL21763996 0.82 GRK6 (0.45) GRK6ALDH1A1POLBSMN1; SMN2
SCHEMBL18552409 0.82 GRK6 (0.55) GRK6ALDH1A1KDM4EEGFRERBB2
SCHEMBL14907962 0.81 GRK6 (0.67) GRK6ALDH1A1KDM4EEGFRERBB2
SCHEMBL14907877 0.80 GRK6 (0.61) GRK6EGFRERBB2
SCHEMBL14907807 0.79 GRK6 (0.49) GRK6ALDH1A1KDM4E
SCHEMBL14907795 0.77 GRK6 (0.62) GRK6ALDH1A1KDM4E

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