SCHEMBL20406603

SCHEMBL20406603

COC(=O)C(C)(C)c1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ PLCG1 P19174 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD1 P21728 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL13331058 0.79 PDE10A (0.56) PDE10ATDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL20406196 0.78 PDE10A (0.43) PDE10ADRD1ALDH1A1
SCHEMBL20406303 0.77 MEN1 (0.46) PDE10ATDP1DRD1GAA
SCHEMBL20406602 0.76 PDE10A (0.40) PDE10ATDP1DRD1ALDH1A1RAB9A
SCHEMBL20406219 0.76 PDE10A (0.46) PDE10AALDH1A1
SCHEMBL20406612 0.76 PDE10A (0.48) PDE10ATDP1KDM4EL3MBTL1DRD1
SCHEMBL20406605 0.75 LMNA (0.49) PDE10ATDP1KDM4EL3MBTL1GAA
SCHEMBL20406531 0.75 PDE10A (0.58) PDE10ATDP1KDM4EL3MBTL1DRD1
SCHEMBL31254676 0.75 PLCG1 (0.51) TDP1PLCG1KDM4EL3MBTL1GAA
SCHEMBL3191632 0.74 SMN1; SMN2 (0.51) L3MBTL1ALDH1A1RAB9A

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
Send feedback