SCHEMBL20406303

SCHEMBL20406303

CC(C)(CO)c1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PDE10A Q9Y233 6/20 0.44
▸ DRD1 P21728 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL20406602 0.85 PDE10A (0.40) MEN1KMT2APDE10ADRD1TDP1
SCHEMBL20406293 0.83 PDE10A (0.44) MEN1KMT2APDE10ADRD1
SCHEMBL20406196 0.81 PDE10A (0.43) MEN1KMT2APDE10ADRD1GCK
SCHEMBL20406219 0.79 PDE10A (0.46) PDE10A
SCHEMBL20406612 0.79 PDE10A (0.48) MEN1KMT2APDE10ADRD1TDP1
SCHEMBL20406603 0.77 PDE10A (0.46) PDE10ADRD1TDP1GAA
SCHEMBL20406262 0.76 PDE10A (0.42) MEN1KMT2APDE10ADRD1
SCHEMBL20406610 0.76 PDE10A (0.51) MEN1KMT2APDE10ADRD1TDP1
SCHEMBL31395507 0.76 PDE10A (0.51) MEN1KMT2APDE10ADRD1TDP1
SCHEMBL7910614 0.76 KMT2A (0.59) MEN1KMT2APDE10ADRD1TDP1

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-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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