SCHEMBL19506084

SCHEMBL19506084

COC(=O)[C@@H]1CC(C)=CN1C(=O)c1ccccc1OCOCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HCRTR1 O43613 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ KLK1 P06870 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19475313 0.90 KDM4E (0.36) KDM4EL3MBTL1NPSR1KMT2AALDH1A1
SCHEMBL19475315 0.90 KDM4E (0.36) KDM4EL3MBTL1NPSR1KMT2AALDH1A1
SCHEMBL19505917 0.90 HTT (0.35) KDM4EL3MBTL1NPSR1KMT2AALDH1A1
SCHEMBL19505791 0.83 NPSR1 (0.36) KDM4EL3MBTL1NPSR1KMT2AALDH1A1
SCHEMBL19506080 0.83 KMT2A (0.33) KMT2AALDH1A1TSHRGAAHCRTR1
SCHEMBL19475329 0.80 HTT (0.36) KDM4EL3MBTL1NPSR1KMT2AALDH1A1
SCHEMBL19475330 0.80 HTT (0.36) KDM4EL3MBTL1NPSR1KMT2AALDH1A1
SCHEMBL19506179 0.79 MEN1 (0.34) KMT2ALMNAMEN1
SCHEMBL19505779 0.79 MEN1 (0.42) NPSR1KMT2AALDH1A1TSHRHCRTR1
SCHEMBL19475845 0.75 MEN1 (0.35) KDM4EL3MBTL1NPSR1KMT2AALDH1A1

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
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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