SCHEMBL10624555

SCHEMBL10624555

CC(C)=COC(=O)n1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.53
▸ F2 P00734 2/20 0.53
▸ MGAM O43451 9/20 0.51
▸ AMY1A P0DUB6 9/20 0.51
▸ SI P14410 9/20 0.51
▸ MGAM2 Q2M2H8 9/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SLC9A1 P19634 1/20 0.51
▸ F12 P00748 7/20 0.50
▸ MIF P14174 1/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KCNMA1 Q12791 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL459733 0.80 GAA (0.60) GAAF2MGAMAMY1ASI
SCHEMBL535054 0.77 GAA (0.64) GAAF2MGAMAMY1ASI
SCHEMBL13518869 0.77 GAA (0.57) GAAF2MGAMAMY1ASI
SCHEMBL2115731 0.77 GAA (0.58) GAAF2MGAMAMY1ASI
SCHEMBL1971916 0.76 GAA (0.54) GAAF2MGAMAMY1ASI
SCHEMBL14639695 0.76 GAA (0.54) GAAF2MGAMAMY1ASI
SCHEMBL3838765 0.74 GAA (0.59) GAAF2MGAMAMY1ASI
SCHEMBL14193247 0.73 GAA (0.57) GAAF2MGAMAMY1ASI
SCHEMBL706083 0.73 MGAM (0.68) GAAF2MGAMAMY1ASI
SCHEMBL4250719 0.73 GAA (0.68) GAAF2MGAMAMY1ASI

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
US-4772695-A DEHYDROHALOGENATION, INSECTICIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1988-09-20 — — US disclosed
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