SCHEMBL23398554

SCHEMBL23398554

Cc1ccccc1-n1ncc(CC(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK14 Q16539 1/20 0.40
HIF1A Q16665 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 3/20 0.38
NPBWR1 P48145 1/20 0.36
SMO Q99835 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL23398645 0.83 MAPK14 (0.46) MEN1PKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23398492 0.81 HIF1A (0.42) MEN1PKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23399985 0.80 GABRA1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HIF1A
SCHEMBL23399471 0.79 MEN1 (0.44) MEN1PKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23399778 0.78 HIF1A (0.41) MEN1PKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23400221 0.77 MAPK14 (0.48) MEN1PKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23400666 0.77 MEN1 (0.50) MEN1PKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23401626 0.76 HIF1A (0.39) KMT2ASMN1; SMN2ALDH1A1L3MBTL1HIF1A
SCHEMBL23400693 0.75 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23401279 0.72 MAPK14 (0.43) MEN1PKMKMT2ASMN1; SMN2ALDH1A1

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