SCHEMBL8750311

SCHEMBL8750311

CCCCOB(O)c1ccsc1C=O.[LiH]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8750317 0.75 MEN1 (0.37) MEN1KMT2ALMNA
SCHEMBL6612249 0.70 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL6611523 0.69 PKM (0.33) L3MBTL1LMNA
SCHEMBL12339028 0.67 TSHR (0.36) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL11713104 0.66 MEN1 (0.41) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL1871186 0.66 MEN1 (0.41) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL11713106 0.66 MEN1 (0.41) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL27792891 0.66 MEN1 (0.41) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL6819727 0.64 TYR (0.38) MEN1KMT2ALMNAGAATDP1
SCHEMBL2145329 0.64 TSHR (0.57) L3MBTL1LMNATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765331-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1997-04-02 EP disclosed
WO-1995033754-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed