SCHEMBL13273663

SCHEMBL13273663

O=C1c2ccccc2C(=O)N1c1ccc2c(c1)C1(OCCCO1)C(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 3/20 0.43
SCN2A Q99250 4/20 0.37
PIM3 Q86V86 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
CA9 Q16790 2/20 0.36
NR1H3 Q13133 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL20268569 0.77 PGR (0.50) KMT2AMEN1
SCHEMBL18320042 0.77 PGR (0.50) KMT2AMEN1
SCHEMBL2762197 0.76 GAA (1.00) GAAMAPK1KMT2AMEN1POLB
SCHEMBL29963500 0.76 GAA (1.00) GAAMAPK1KMT2AMEN1POLB
SCHEMBL8273542 0.74 KMT2A (0.88) GAAMAPK1KMT2AMEN1POLB
SCHEMBL5337809 0.74 GAA (0.62) GAAMAPK1KMT2AMEN1POLB
SCHEMBL13196418 0.74 GAA (0.62) GAAMAPK1KMT2AMEN1POLB
SCHEMBL5338177 0.74 GAA (0.62) GAAMAPK1KMT2AMEN1POLB
SCHEMBL5335747 0.74 GAA (0.62) GAAMAPK1KMT2AMEN1POLB
SCHEMBL2761694 0.74 GAA (0.62) GAAMAPK1KMT2AMEN1POLB

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
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed