SCHEMBL30453059

SCHEMBL30453059

CCOC(=O)CNC(=O)c1ncc(-n2ncc(-c3ccccc3)c2C)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
EGLN1 Q9GZT9 7/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL24257722 0.85 HPGD (0.48) ALDH1A1SMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL24257699 0.76 HPGD (0.44) ALDH1A1HPGDL3MBTL1RAB9ANPC1
SCHEMBL30546822 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL30452553 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL24257545 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL24257727 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL24257534 0.74 CASP1 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL30453195 0.74 CASP1 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL24257697 0.74 EGLN1 (0.50) RAB9AEGLN1GAA
SCHEMBL24257576 0.74 TRPM8 (0.41) ALDH1A1SMN1; SMN2HPGDL3MBTL1KDM4E

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-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed