SCHEMBL23399518

SCHEMBL23399518

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 3/20 0.42
NPC1 O15118 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
VHL P40337 2/20 0.33
SRC P12931 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAD51 Q06609 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL23399793 0.84 GAA (0.44) MEN1KMT2AGAANPC1BRD4
SCHEMBL23402882 0.81 KMT2A (0.40) MEN1KMT2AGAAALDH1A1MAOB
SCHEMBL23403534 0.77 MEN1 (0.39) MEN1KMT2AGAANPC1ERCC1
SCHEMBL23400486 0.76 BRD4 (0.44) KMT2AGAANPC1BRD4TP53
SCHEMBL23400010 0.75 GAA (0.35) MEN1KMT2AGAAALDH1A1CYP2C9
SCHEMBL23402975 0.74 MEN1 (0.59) MEN1KMT2AGAANPC1MAPT
SCHEMBL23400881 0.72 MEN1 (0.36) MEN1KMT2AGAANPC1ERCC1
SCHEMBL23402629 0.72 MEN1 (0.36) MEN1KMT2AGAANPC1ERCC1
SCHEMBL23401526 0.69 GAA (0.49) MEN1KMT2AGAANPC1BRD4
SCHEMBL23399963 0.69 GAA (0.56) MEN1KMT2AGAANPC1TP53

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