SCHEMBL23612147

SCHEMBL23612147

O=C1CC(n2cc([N+](=O)[O-])cn2)C1.O=[N+]([O-])c1cn[nH]c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23612188 0.88 MPO (0.43) MPOMAPTMEN1RECQLKMT2A
SCHEMBL23612219 0.78 MPO (0.36) MPOMAPTMEN1RECQLKMT2A
SCHEMBL16513354 0.77 MPO (0.60) MPOMAPTMEN1RECQLKMT2A
SCHEMBL23612248 0.76 DDB1 (0.49) MAPTALDH1A1
SCHEMBL174612 0.74 F2 (0.41) MPOMAPTMEN1RECQLKMT2A
SCHEMBL16975322 0.74 MPO (0.48) MPOMAPTMEN1RECQLKMT2A
SCHEMBL163689 0.73
SCHEMBL21639876 0.73 F2 (0.38) MAPTMEN1RECQLKMT2ATDP1
SCHEMBL22619640 0.72 GAA (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL30839437 0.72 GAA (0.46) MAPTMEN1KMT2AALDH1A1GAA

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-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO disclosed