SCHEMBL28972921

SCHEMBL28972921

O=C(C#Cc1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 2/20 0.51
▸ APP P05067 4/20 0.50
▸ VCP P55072 1/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28745823 0.89 APP (0.56) APPVCPKMT2AGSK3BMEN1
SCHEMBL2254671 0.85 APP (0.41) GPR183APPVCP
SCHEMBL9194059 0.82 VCP (0.69) APPVCPKMT2AMEN1ALDH1A1
SCHEMBL8652597 0.82 VCP (0.69) APPVCPKMT2AMEN1ALDH1A1
SCHEMBL28542054 0.82 VCP (0.59) APPVCPKMT2AMEN1ALDH1A1
SCHEMBL28359074 0.82 VCP (0.59) APPVCPKMT2AMEN1ALDH1A1
SCHEMBL28972824 0.79 APP (0.73) GPR183APPVCPKMT2AGSK3B
SCHEMBL4461464 0.77 KCNH2 (0.47) GPR183APPKMT2AMEN1NPSR1
SCHEMBL16599136 0.75 GPR183 (0.77) GPR183ALDH1A1MAPTNPSR1
SCHEMBL10218101 0.74 ALDH1A1 (0.51) APPKMT2AMEN1ALDH1A1MAPT

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
CN-115677739-A Preparation method of O, O-boron difluoride complex 华南理工大学 2023-02-03 — — CN disclosed
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