SCHEMBL28932838

SCHEMBL28932838

C=CNCc1ccccc1.CCNCCC[Si](OC)(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 1/20 0.37
▸ ADH1C P00326 1/20 0.37
▸ ADH1A P07327 1/20 0.37
▸ ADH7 P40394 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ SIGMAR1 Q99720 4/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28146288 0.82 MAOA (0.42) MAOACHRM2SIGMAR1SCN8AHTT
SCHEMBL28652745 0.81 SCN8A (0.43) MAOACHRM2SIGMAR1SCN8AMEN1
Hydrochloric Acid SCHEMBL26122561 0.81 SCN8A (0.42) MAOACHRM2SIGMAR1SCN8AMEN1
SCHEMBL515863 0.81 SMN1; SMN2 (0.34) MAOACHRM2SIGMAR1SCN8AHTT
SCHEMBL48855 0.80 MAOA (0.58) MAOACHRM2SIGMAR1SCN8AMEN1
Ethyl Chloride SCHEMBL11286394 0.80 ADH1B (0.33) ADH1BADH1CADH1AADH7MAOA
Benzylamine SCHEMBL5686028 0.80 LOXL2 (0.41) MAOACHRM2SIGMAR1SCN8AHTT
SCHEMBL29078899 0.79 MAOA (0.46) MAOACHRM2SIGMAR1SCN8AMEN1
SCHEMBL25335334 0.79 MAOA (0.56) MAOACHRM2SIGMAR1SCN8AMEN1
Methylamine SCHEMBL3624091 0.78 MAOA (0.55) MAOACHRM2SIGMAR1SCN8AMEN1

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-115428190-A Method for applying functional compounds to sulfur particles 威妥有限公司 2022-12-02 — — CN disclosed
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