SCHEMBL28567435

SCHEMBL28567435

Nc1ccc(-n2cnc(O)n2)cc1.OP(O)(O)=S

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA3 P07451 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CA6 P23280 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL28577906 0.79 HTT (0.46) MAPTLMNA
SCHEMBL28567432 0.78 ALDH1A1 (0.41) MKNK1MKNK2MAPTLMNAALDH1A1
SCHEMBL10361314 0.74 ALDH1A1 (0.43) MAPTLMNAALDH1A1KDM4E
SCHEMBL10360375 0.74 NOTUM (0.46) MAPTALDH1A1KDM4ECYP3A4
SCHEMBL4857635 0.74 MAPT (0.47) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL719952 0.71 MAPK10 (0.42) MKNK1MKNK2MAPTLMNAALDH1A1
SCHEMBL3748429 0.71 MKNK1 (0.47) MKNK1MKNK2MAPTLMNAALDH1A1
SCHEMBL3751447 0.71 MKNK1 (0.39) MKNK1MKNK2MAPTLMNAALDH1A1
SCHEMBL10360310 0.70 NOTUM (0.44)
SCHEMBL6132524 0.70 CYP1A2 (0.47) MAPTLMNAALDH1A1KDM4ECA14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898343-A Hapten of organophosphorus triazophos pesticide and preparation method thereof 中国农业科学院蔬菜花卉研究所 2021-06-04 CN claimed
CN-112898343-A Hapten of organophosphorus triazophos pesticide and preparation method thereof 中国农业科学院蔬菜花卉研究所 2021-06-04 CN disclosed