SCHEMBL7324013

SCHEMBL7324013

COc1ccc2c(c1)C(O)(c1ccccc1)c1ccccc1-2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.60
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL17439398 0.91 PDK2 (0.64) PDK2MEN1GAAKMT2ACA1
SCHEMBL13185281 0.88 PDK2 (0.55) PDK2MEN1GAAKMT2A
SCHEMBL7315127 0.85 PDK2 (0.51) PDK2MEN1GAAKMT2ACA1
SCHEMBL7315657 0.84 PDK2 (0.51) PDK2MEN1GAAKMT2A
SCHEMBL17456241 0.81 PDK2 (0.52) PDK2MEN1GAAKMT2APARP1
SCHEMBL30177008 0.81 PDK2 (0.55) PDK2MEN1GAAKMT2AGPR3
SCHEMBL17471968 0.81 PDK2 (0.59) PDK2MEN1GAAKMT2ACA1
SCHEMBL18386005 0.79 THRB (0.45) PDK2MEN1KMT2A
SCHEMBL813078 0.79 THRB (0.52) PDK2MEN1GAAKMT2A
SCHEMBL30345614 0.79 THRB (0.52) PDK2MEN1GAAKMT2A

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
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 — — US disclosed
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