SCHEMBL21763872

SCHEMBL21763872

CONc1cc(-c2ccc3c(c2)c(C)cn3C)cc(-c2nnc(SCC(=O)O)[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 4/20 0.33
GRK6 P43250 3/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CACNA1H O95180 3/20 0.32
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18552307 0.89 KDM4E (0.38) NR4A2KDM4EALDH1A1GRK6RXRA
SCHEMBL17213153 0.85 KDM4E (0.35) NR4A2KDM4EALDH1A1GRK6RXRA
SCHEMBL18540629 0.84 GRK6 (0.37) KDM4EALDH1A1GRK6MEN1KMT2A
SCHEMBL21763970 0.84 PRKAG1 (0.36) GRK6
SCHEMBL21763923 0.82 CREBBP (0.38) GRK6
SCHEMBL21763883 0.80 KDM4E (0.41) KDM4EGRK6MEN1KMT2A
SCHEMBL21763888 0.80 GRK6 (0.37) KDM4EALDH1A1GRK6HPGDRECQL
SCHEMBL21763949 0.80 GRK6 (0.35) GRK6
SCHEMBL21763919 0.79 HSD11B1 (0.35) KDM4EALDH1A1GRK6MEN1KMT2A
SCHEMBL21763951 0.79 FAAH (0.39) GRK6

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