SCHEMBL19506080

SCHEMBL19506080

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL19506111 0.89 PTPN1 (0.31) —
SCHEMBL19505789 0.85 GRM5 (0.32) KMT2AMEN1DGAT1TP53MDM2
SCHEMBL19505917 0.84 HTT (0.35) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL19475631 0.83 DRD2 (0.32) DGAT1P2RX7
SCHEMBL19475632 0.83 DRD2 (0.32) DGAT1P2RX7
SCHEMBL19506084 0.83 KDM4E (0.35) KMT2AMEN1ALDH1A1GAAHCRTR1
SCHEMBL19506085 0.81 ALDH1A1 (0.35) KMT2AALDH1A1GAATSHRMMP2
SCHEMBL19475772 0.79 L3MBTL1 (0.36) KMT2AMEN1ALDH1A1TP53MDM2
SCHEMBL19505802 0.78 KMT2A (0.44) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL19505804 0.78 KMT2A (0.44) KMT2AMEN1ALDH1A1GAATSHR

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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