SCHEMBL27657192

SCHEMBL27657192

O=C(C(Cc1ccccn1)C1CC1)C(Cc1ccccn1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.53
FDPS P14324 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 2/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14834767 0.78 GRIN2D (0.46) PTPRAFDPSSMN1; SMN2L3MBTL1DPP4
SCHEMBL26109325 0.78 PTPRA (0.53) PTPRAFDPSSMN1; SMN2L3MBTL1DPP4
SCHEMBL27974172 0.76 PTPRA (0.59) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL27657194 0.74 FDPS (0.45) PTPRAFDPSSMN1; SMN2L3MBTL1DPP4
SCHEMBL17680192 0.71 GRIN2D (0.42) PTPRAFDPSSMN1; SMN2L3MBTL1DPP4
SCHEMBL27756065 0.70 DPP4 (0.43) DPP4HPGDMEN1KMT2AALDH1A1
SCHEMBL12238431 0.69 PTPRA (1.00) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL2684214 0.69 PTPRA (1.00) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL2187235 0.69 PTPRA (0.59) PTPRAFDPSSMN1; SMN2DPP4GRIN2D
SCHEMBL1827060 0.69 PTPRA (1.00) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B

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-100564366-C Has 1 of weeding activity, the 3-derovatives ISAGRO RICERCA SRL (IT) 2009-12-02 CN disclosed
CN-1882552-A Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA SRL (IT) 2006-12-20 CN disclosed