SCHEMBL23399534

SCHEMBL23399534

COc1ccc(-n2cc(O)c(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.60
MAPT P10636 2/20 0.55
AURKA O14965 1/20 0.55
TP53 P04637 1/20 0.55
CDK2 P24941 3/20 0.54
CCNE1 P24864 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
CA12 O43570 6/20 0.52
CA9 Q16790 6/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52

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
SCHEMBL23402521 0.89 KMT2A (0.55) CNR1MAPTAURKACDK2CCNE1
SCHEMBL23402110 0.87 RAB9A (0.62) CNR1MAPTAURKATP53CDK2
SCHEMBL13890469 0.84 CNR1 (0.61) CNR1MAPTAURKATP53CDK2
SCHEMBL23400907 0.84 LMNA (0.49) CNR1MAPTAURKAMEN1KMT2A
SCHEMBL23399040 0.82 KMT2A (0.67) CNR1MAPTAURKACDK2CCNE1
SCHEMBL23399568 0.82 KMT2A (0.58) CNR1MAPTAURKATP53CDK2
SCHEMBL23400607 0.80 RAB9A (0.56) CNR1MAPTAURKATP53CDK2
SCHEMBL23392554 0.80 KMT2A (0.79) CNR1MAPTAURKATP53CDK2
SCHEMBL4184361 0.79 PTGS2 (0.60) CNR1MAPTAURKATP53CDK2
SCHEMBL23400552 0.79 RAB9A (0.47) CNR1MAPTMEN1KMT2ARAB9A

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