SCHEMBL23401855

SCHEMBL23401855

Cc1ccc(-n2nc(CC(C)C)c(C(C)C)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 4/20 0.35
CACNA1H O95180 1/20 0.35
ALDH1A1 P00352 4/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TP53 P04637 6/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 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
SCHEMBL23402791 0.87 PDE4A (0.38) HPGDMAPTALDH1A1KCNJ6KCNJ5
SCHEMBL23399790 0.87 CACNA1H (0.43) KDM4EHSD17B10HPGDUSP2CACNA1H
SCHEMBL23402173 0.85 KDM4E (0.39) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23401016 0.85 ALDH1A1 (0.38) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23402003 0.84 DPP4 (0.41) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23401878 0.84 ALDH1A1 (0.36) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23403081 0.84 KDM4E (0.38) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23399286 0.83 ALDH1A1 (0.40) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23399737 0.81 KDM4E (0.36) KDM4EHSD17B10HPGDUSP2MAPT
SCHEMBL23399583 0.80 LMNA (0.43) KDM4EHPGDMAPTALDH1A1KCNJ6

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed