SCHEMBL28515151

SCHEMBL28515151

c1cnn(CCCOCCCn2cccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KCNA3 P22001 1/20 0.36
KCNA5 P22460 1/20 0.36
IDO1 P14902 1/20 0.36
FDPS P14324 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TSHR P16473 1/20 0.34
THRB P10828 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL31010234 0.90 THRB (0.38) DAOALDH1A1KCNA3KCNA5IDO1
SCHEMBL3086212 0.86 IDO1 (0.41) DAOALDH1A1KCNA3KCNA5IDO1
SCHEMBL7100687 0.84 DAO (0.43) DAOALDH1A1KCNA3KCNA5IDO1
SCHEMBL12811510 0.83 FDPS (0.38) DAOALDH1A1KCNA3KCNA5IDO1
SCHEMBL31010062 0.79 IDO1 (0.38) DAOALDH1A1IDO1FDPSTLR8
SCHEMBL24914316 0.79 L3MBTL1 (0.38) ALDH1A1FDPSTLR8TLR7TSHR
SCHEMBL28794884 0.79 DAO (0.36) DAOALDH1A1KCNA3KCNA5IDO1
SCHEMBL5713341 0.78 DAO (0.50) DAOIDO1FDPSTSHRTHRB
SCHEMBL30107544 0.78 IDO1 (0.37) DAOALDH1A1IDO1FDPSTLR8
SCHEMBL30162885 0.78 IDO1 (0.40) DAOALDH1A1IDO1FDPSTSHR

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-111683528-B Use of pyrazolidinopropyl ethers as nitrification inhibitors 巴斯夫欧洲公司 2022-12-13 CN claimed
CN-111683528-A Use of pyrazolylpropargyl ethers as nitrification inhibitors 巴斯夫欧洲公司 2020-09-18 CN claimed