SCHEMBL23401211

SCHEMBL23401211

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.69
ALOX15 P16050 1/20 0.69
SLC11A2 P49281 8/20 0.58
KDM4E B2RXH2 7/20 0.58
MAPT P10636 5/20 0.57
MEN1 O00255 3/20 0.57
HTT P42858 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.56
KDM5A P29375 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
ALKBH3 Q96Q83 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL23399254 0.91 GAA (0.56) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23401166 0.86 GAA (0.50) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23401387 0.82 GAA (0.47) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23403304 0.82 KDM4E (0.55) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23399857 0.82 GAA (0.47) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23402040 0.82 GAA (0.47) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23399618 0.81 GAA (1.00) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23400986 0.81 ALKBH3 (0.52) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23401821 0.81 ALKBH3 (0.52) GAAALOX15SLC11A2KDM4EMAPT
SCHEMBL23398522 0.80 ALKBH3 (0.49) GAAALOX15MAPTMEN1HTT

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