SCHEMBL23401241

SCHEMBL23401241

Cc1ccccc1-n1[nH]c(CC(C)C)c(-c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 7/20 0.41
SLC11A2 P49281 4/20 0.39
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.36
NOX4 Q9NPH5 1/20 0.35
DPP4 P27487 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL23403304 0.85 KDM4E (0.55) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23403626 0.83 GAA (0.59) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23401390 0.83 NOX4 (0.40) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL23401525 0.83 KDM4E (0.49) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23402776 0.82 NOX4 (0.37) GAAKDM4EMAPTHTTMEN1
SCHEMBL23399846 0.82 GAA (0.54) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23401535 0.81 KDM4E (0.58) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23402238 0.80 ELANE (0.36) GAAKDM4EMAPTHTTMEN1
SCHEMBL23402040 0.80 GAA (0.47) GAAALOX15KDM4ESLC11A2MAPT
SCHEMBL23401211 0.79 GAA (0.69) GAAALOX15KDM4ESLC11A2MAPT

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