SCHEMBL17381653

SCHEMBL17381653

OCc1cnn([C@H]2C[C@@H](NCl)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.31
▸ PAK1 Q13153 4/20 0.31
▸ PKN1 Q16512 1/20 0.31
▸ ACHE P22303 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
SCHEMBL19245620 1.00 OGA (0.35) OGASMYD3PAK1PKN1ACHE
SCHEMBL17500144 0.81 SMYD3 (0.36) OGASMYD3PAK1PKN1ACHE
SCHEMBL17500142 0.81 SMYD3 (0.36) OGASMYD3PAK1PKN1ACHE
SCHEMBL20200051 0.79 OGA (0.37) OGASMYD3PAK1ACHE
SCHEMBL18581843 0.78 OGA (0.45) OGAPAK1PKN1ACHE
Hydrochloric Acid SCHEMBL17374363 0.78 OGA (0.37) OGASMYD3ACHE
Hydrochloric Acid SCHEMBL17374365 0.78 OGA (0.37) OGASMYD3ACHE
SCHEMBL26928851 0.77 OGA (0.40) OGAPAK1ACHE
SCHEMBL17374168 0.74 KMT2A (0.48) —
SCHEMBL17374170 0.74 KMT2A (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017040606-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
WO-2016115090-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-07-21 — — WO disclosed
WO-2015196071-A9 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
WO-2015196071-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-12-23 — — WO disclosed
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