SCHEMBL23399254

SCHEMBL23399254

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.56
ALOX15 P16050 1/20 0.56
KDM4E B2RXH2 6/20 0.55
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
SLC11A2 P49281 10/20 0.52
MEN1 O00255 3/20 0.48
HTT P42858 3/20 0.48
KMT2A Q03164 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOD2 Q9HC29 1/20 0.48
KDM5A P29375 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42

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
SCHEMBL23401211 0.91 GAA (0.69) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23398446 0.87 ALKBH3 (0.48) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23400986 0.84 ALKBH3 (0.52) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23401821 0.84 ALKBH3 (0.52) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23401300 0.83 KDM4E (0.40) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23400255 0.83 MAPT (0.44) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23398935 0.83 KDM4E (0.47) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23398713 0.81 GAA (0.84) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23403658 0.79 GAA (0.70) GAAALOX15KDM4EMAPTLMNA
SCHEMBL23402976 0.79 ALKBH3 (0.47) KDM4EMAPTLMNAMEN1HTT

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