SCHEMBL8492219

SCHEMBL8492219

O=S(=O)(c1ccccc1)c1nc(CCC(O)O)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.36
▸ NAMPT P43490 4/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ MET P08581 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ TP53 P04637 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
SCHEMBL28974082 0.72 HTR6 (0.46) HTR6METMAPTAKR1B1
SCHEMBL27825213 0.70 L3MBTL1 (0.47) HTR6METMAPTL3MBTL1
SCHEMBL28746965 0.70 HTR6 (0.41) HTR6METSLC6A2MAPTL3MBTL1
(Phenylsulfonyl)Benzene SCHEMBL7774155 0.66 HTR6 (0.82) HTR6MAPTL3MBTL1HSD11B1
SCHEMBL4728735 0.63 HTR6 (0.48) HTR6NAMPTMETAKR1B1
(Phenylsulfonyl)Benzene SCHEMBL9617906 0.62 HTR6 (0.58) HTR6L3MBTL1HSD11B1
(Phenylsulfonyl)Benzene SCHEMBL28237512 0.61 HTR6 (0.93) HTR6MAPTL3MBTL1HSD11B1
(Phenylsulfonyl)Benzene SCHEMBL9642349 0.60 HTR6 (0.78) HTR6MAPTL3MBTL1HSD11B1
SCHEMBL11570944 0.60 ABCB1 (0.43) HTR6METAKR1B1
SCHEMBL14131967 0.60 HTR6 (0.54) HTR6L3MBTL1HSD11B1

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-1999006377-A1 DERIVATIVES OF 1-((3,3-DIMETHYL-3-SILABUTOXY)METHYL)-2-(PHENYLSULFONYL)IMIDAZOLE GLIATECH, INC. (US) 1999-02-11 — — WO disclosed
Send feedback