SCHEMBL23399448

SCHEMBL23399448

Cc1cccc(-c2c[nH]n(C(C)C)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.38
FYN P06241 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LDHA P00338 1/20 0.37

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
SCHEMBL23403075 0.82 MEN1 (0.44) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL23402629 0.81 MEN1 (0.36) KMT2AMEN1GAAPOLBMAOB
SCHEMBL23402811 0.80 KMT2A (0.43) KMT2AMEN1GAAMAOBFYN
SCHEMBL23400222 0.78 MEN1 (0.41) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL23401134 0.76 MAPK14 (0.42) ALDH1A1KMT2AMEN1GAAMAOB
SCHEMBL23402882 0.76 KMT2A (0.40) ALDH1A1KMT2AMEN1GAAMAOB
SCHEMBL23400468 0.76 KMT2A (0.61) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL23399068 0.75 MEN1 (0.59) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL23400435 0.75 KMT2A (0.72) KMT2AMEN1GAAPOLBMAPK1
SCHEMBL23399231 0.73 BRD4 (0.42) ALDH1A1KMT2AMEN1POLBMAOB

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