SCHEMBL23401701

SCHEMBL23401701

Cc1ccc(-c2c(-c3cccc(C)c3)[nH]n(-c3ccccc3C)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 3/20 0.48
MAPT P10636 6/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 6/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SLC11A2 P49281 2/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD2 Q9HC29 1/20 0.36
MAT2A P31153 3/20 0.34
MAPK14 Q16539 1/20 0.34
THRB P10828 1/20 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
SCHEMBL23399948 0.95 ALKBH3 (0.50) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23401821 0.90 ALKBH3 (0.52) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23400986 0.90 ALKBH3 (0.52) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23398446 0.90 ALKBH3 (0.48) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23399410 0.85 GAA (0.57) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23402190 0.84 ALKBH3 (0.49) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23403287 0.84 ALKBH3 (0.47) ALKBH3MAPTHTTLMNAKMT2A
SCHEMBL23401166 0.84 GAA (0.50) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23401708 0.83 GAA (0.55) ALKBH3MAPTHTTLMNAGAA
SCHEMBL23401079 0.83 MAPT (0.50) ALKBH3MAPTHTTLMNAGAA

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