SCHEMBL28625965

SCHEMBL28625965

CCOC(=O)c1cc(O)n(-c2ccccc2)n1.[KH]

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 4/20 0.62
POLB P06746 1/20 0.62
TP53 P04637 4/20 0.60
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
THRB P10828 1/20 0.58
LMNA P02545 1/20 0.58
PDE4D Q08499 1/20 0.57
CA9 Q16790 1/20 0.56
ALOX12 P18054 2/20 0.54

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
SCHEMBL7268 0.99 KMT2A (0.68) KMT2AGAAMAPTPOLBTP53
SCHEMBL16613223 0.89 KMT2A (0.56) KMT2AGAAMAPTPOLBTP53
SCHEMBL21350911 0.88 KMT2A (0.57) KMT2AGAAMAPTPOLBTP53
SCHEMBL16598061 0.88 KMT2A (0.57) KMT2AGAAMAPTPOLBTP53
SCHEMBL3299372 0.87 KMT2A (0.68) KMT2AGAAMAPTPOLBTP53
SCHEMBL537642 0.86 CHRNA7 (0.60) KMT2AGAAMAPTPOLBTP53
SCHEMBL18542682 0.86 KMT2A (0.54) KMT2AGAAMAPTPOLBTP53
SCHEMBL537295 0.85 KMT2A (0.56) KMT2AGAAMAPTPOLBTP53
SCHEMBL22896893 0.84 KMT2A (0.65) KMT2AGAAMAPTPOLBTP53
SCHEMBL2835335 0.84 KMT2A (0.65) KMT2AGAAMAPTPOLBTP53

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
CN-108147996-B Synthetic method of arylmethylene bispyrazole ester monopotassium salt 扬州大学 2021-09-24 CN disclosed