SCHEMBL20570751

SCHEMBL20570751

O=C(O)c1ccn(C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.46
GAA P10253 2/20 0.44
MGLL Q99685 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 2/20 0.41

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
SCHEMBL20567635 0.88 SCN4A (0.51) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL20566659 0.83 MAPT (0.43) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL24970320 0.82 HTT (0.51) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL21896802 0.82 SCN4A (0.50) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL29019508 0.78 GAA (0.45) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL20503479 0.77 GAA (0.48) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL20570582 0.77 BCL9 (0.43) SCN4AGAAMGLLBCL9CTNNB1
SCHEMBL22350699 0.76 GAA (0.43) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL20503501 0.75 GAA (0.42) SCN4AGAAMGLLKMT2ACYP1A2
SCHEMBL31568215 0.75 GAA (0.50) GAAMGLLKMT2ACYP1A2CYP2D6

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-3630744-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-08 EP disclosed
WO-2018217805-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed