SCHEMBL7747880

SCHEMBL7747880

COC(=O)[C@H]1OC(=O)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7747876 1.00 MGLL (0.39) MGLLKDM1AGAAMEN1KMT2A
SCHEMBL7995847 1.00 MGLL (0.39) MGLLKDM1AGAAMEN1KMT2A
SCHEMBL8174001 0.87 ADRA1A (0.42) MGLLKDM1AGAA
SCHEMBL5658840 0.87 ADRA1A (0.42) MGLLKDM1AGAA
SCHEMBL5662288 0.87 ADRA1A (0.42) MGLLKDM1AGAA
SCHEMBL7972575 0.84 MGLL (0.39) MGLLKDM1AGAA
SCHEMBL8173301 0.82 MGLL (0.43) MGLL
SCHEMBL7966161 0.82 MGLL (0.43) MGLL
SCHEMBL7225595 0.79 MGLL (0.41) MGLLKDM1A
SCHEMBL6222781 0.78 MGLL (0.38) MGLLKDM1AGAAMEN1KMT2A

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-2001022919-A2 SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF MERCK & CO., INC. (US) 2001-04-05 WO disclosed