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SCHEMBL586771

SCHEMBL586771

CCOC(=O)CC(=O)C1CCN(C(=O)OCc2ccccc2)C(c2nnn(C)n2)C1.Cn1nnc(C2CC(C(=O)O)CCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.43
▸ TMEM97 Q5BJF2 9/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL582341 0.97 SIGMAR1 (0.45) SIGMAR1TMEM97
SCHEMBL580802 0.91 SMN1; SMN2 (0.51) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL587170 0.83 SIGMAR1 (0.42) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL587119 0.82 SIGMAR1 (0.45) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL2996185 0.79 TMEM97 (0.51) SIGMAR1TMEM97
SCHEMBL2996181 0.79 TMEM97 (0.51) SIGMAR1TMEM97
SCHEMBL587171 0.78 SIGMAR1 (0.42) SIGMAR1TMEM97NPC1RAB9A
SCHEMBL586556 0.76 RIPK1 (0.40) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL586903 0.74 SMN1; SMN2 (0.51) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL5160860 0.74 TMEM97 (0.55) SIGMAR1TMEM97

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 — — EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed