SCHEMBL28923697

SCHEMBL28923697

COC(=O)c1cc(O)nn1-c1ccccc1.[KH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL4850604 0.98 SMN1; SMN2 (0.60) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL28825868 0.83 ALDH1A1 (0.62) SMN1; SMN2HPGDKMT2AALDH1A1GAA
SCHEMBL69400 0.83 SMN1; SMN2 (0.60) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL16112346 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL20028706 0.82 SMN1; SMN2 (0.59) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL16112407 0.82 SMN1; SMN2 (0.59) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL17369124 0.81 SMN1; SMN2 (0.57) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL5402973 0.80 ALDH1A1 (0.63) SMN1; SMN2MEN1KMT2ARECQLALDH1A1
SCHEMBL15869372 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL1670472 0.78 GRN (0.56) SMN1; SMN2ALDH1A1KDM4EPOLBTP53

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