SCHEMBL9800314

SCHEMBL9800314

NC(=O)NNNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
PTGS2 P35354 2/20 0.50
GAA P10253 7/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 4/20 0.46
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
CDK9 P50750 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
Phenicarbazide SCHEMBL250264 0.86 ALOX5 (0.61) ALOX5TSHRCYP3A4PTGS2GAA
SCHEMBL22856571 0.86 ALOX5 (0.61) ALOX5TSHRCYP3A4PTGS2GAA
Phenicarbazide SCHEMBL27711804 0.84 ALOX5 (0.59) ALOX5TSHRCYP3A4PTGS2GAA
Hydrazobenzene SCHEMBL10946311 0.79 ALDH1A1 (0.67) ALOX5TSHRCYP3A4PTGS2GAA
SCHEMBL28629293 0.78 ALDH1A1 (0.62) ALOX5TSHRCYP3A4GAAMAPT
SCHEMBL29234701 0.78 ALOX5 (0.49) ALOX5TSHRCYP3A4PTGS2GAA
SCHEMBL21764766 0.75 ALDH1A1 (0.79) ALOX5TSHRCYP3A4PTGS2GAA
SCHEMBL10594245 0.75 PTPN1 (0.50) ALOX5TSHRCYP3A4PTGS2GAA
SCHEMBL1520818 0.74 ALDH1A1 (0.60) ALOX5TSHRCYP3A4PTGS2GAA
SCHEMBL11808114 0.74 SMN1; SMN2 (0.67) TSHRGAAMAPTGFERALDH1A1

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-5004546-A Process for measuring stable-type glycated hemoglobin in a sample TOYO SODA MANUFACTURING CO., LTD. (JP) 1991-04-02 US disclosed