SCHEMBL21737729

SCHEMBL21737729

CNC(=N)n1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.66
▸ GAA P10253 10/20 0.50
▸ MGAM O43451 9/20 0.50
▸ AMY1A P0DUB6 9/20 0.50
▸ SI P14410 9/20 0.50
▸ MGAM2 Q2M2H8 9/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SLC9A1 P19634 2/20 0.50
▸ F2 P00734 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.46

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
SCHEMBL15218673 0.80 DGAT1 (0.72) DGAT1GAAMGAMAMY1ASI
SCHEMBL2732640 0.80 DGAT1 (1.00) DGAT1GAAMGAMAMY1ASI
SCHEMBL17875212 0.79 ASAH1 (0.59) DGAT1GAAMGAMAMY1ASI
SCHEMBL1520814 0.77 DGAT1 (0.72) DGAT1GAAMGAMAMY1ASI
SCHEMBL12282952 0.76 DGAT1 (0.66) DGAT1GAAMGAMAMY1ASI
SCHEMBL27973795 0.75 DGAT1 (0.70) DGAT1GAAMGAMAMY1ASI
Hydrochloric Acid SCHEMBL2681010 0.75 DGAT1 (0.70) DGAT1GAAMGAMAMY1ASI
SCHEMBL9618160 0.75 DGAT1 (0.70) DGAT1GAAMGAMAMY1ASI
SCHEMBL1756653 0.74 DGAT1 (0.69) DGAT1GAAMGAMAMY1ASI
SCHEMBL22492990 0.73 DGAT1 (0.53) DGAT1GAAMGAMAMY1ASI

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
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 — — EP disclosed
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