SCHEMBL28794884

SCHEMBL28794884

O=COCCCn1cccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
KCNA3 P22001 1/20 0.36
KCNA5 P22460 1/20 0.36
FDPS P14324 1/20 0.35
ALDH1A1 P00352 2/20 0.34
THRB P10828 2/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 2/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 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
SCHEMBL27835522 0.95 KCNA3 (0.40) DAOKCNA3KCNA5FDPSALDH1A1
SCHEMBL14812913 0.89 DAO (0.38) DAOKCNA3KCNA5FDPSALDH1A1
SCHEMBL28515151 0.79 DAO (0.38) DAOKCNA3KCNA5FDPSALDH1A1
SCHEMBL5370257 0.77
SCHEMBL7100687 0.76 DAO (0.43) DAOKCNA3KCNA5FDPSALDH1A1
SCHEMBL8105773 0.76 DAO (0.39) DAOKCNA3KCNA5FDPSTHRB
SCHEMBL12811510 0.76 FDPS (0.38) DAOKCNA3KCNA5FDPSALDH1A1
SCHEMBL8659956 0.75 TP53 (0.37)
SCHEMBL31010234 0.74 THRB (0.38) DAOKCNA3KCNA5FDPSALDH1A1
SCHEMBL14960017 0.73 TSHR (0.39) DAOKCNA3KCNA5FDPSTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026983-B Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-10-22 CN claimed
CN-102026983-A Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES SRL 2011-04-20 CN claimed
CN-102026983-B Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-10-22 CN disclosed
CN-102026983-A Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES SRL 2011-04-20 CN disclosed