SCHEMBL17500144

SCHEMBL17500144

O=C(O)NC1CC(n2cc(CO)cn2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ ACHE P22303 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ OGA O60502 1/20 0.34
▸ PAK1 Q13153 3/20 0.33
▸ OPRK1 P41145 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PKN1 Q16512 1/20 0.32
▸ SMYD2 Q9NRG4 1/20 0.31

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
SCHEMBL17500142 1.00 SMYD3 (0.36) SMYD3HSP90AA1HSP90AB1ACHEMEN1
SCHEMBL17374168 0.82 KMT2A (0.48) KMT2A
SCHEMBL17374170 0.82 KMT2A (0.48) KMT2A
SCHEMBL17381653 0.81 OGA (0.35) SMYD3ACHEOGAPAK1PKN1
SCHEMBL19245620 0.81 OGA (0.35) SMYD3ACHEOGAPAK1PKN1
SCHEMBL26601146 0.79 SMYD3 (0.37) SMYD3ACHEMEN1KMT2AOPRK1
SCHEMBL26601141 0.79 SMYD3 (0.37) SMYD3ACHEMEN1KMT2AOPRK1
SCHEMBL17500118 0.77 SMYD3 (0.36) SMYD3ACHEOPRK1LMNA
SCHEMBL17500115 0.77 SMYD3 (0.36) SMYD3ACHEOPRK1LMNA
SCHEMBL17374222 0.76 RAB9A (0.55) KMT2ALMNA

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-2015196071-A9 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
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