SCHEMBL27769725

SCHEMBL27769725

CC(C)(C)C(=O)ON1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.48
WDR5 P61964 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
SLC6A5 Q9Y345 3/20 0.43
THRB P10828 1/20 0.43
HTR7 P34969 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL28761558 0.86 MAPT (0.57) SLC6A9ALDH1A1LMNAMAPTSLC6A5
SCHEMBL27925825 0.85 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL28806302 0.85 ALDH1A1 (0.59) WDR5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL993182 0.83 LMNA (0.65) SLC6A9WDR5ALDH1A1LMNAMAPT
SCHEMBL30890284 0.83 LMNA (0.65) SLC6A9WDR5ALDH1A1LMNAMAPT
SCHEMBL27851910 0.83 MEN1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL27830588 0.83 ALDH1A1 (0.42) WDR5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL27648774 0.82 PHGDH (0.46) ALDH1A1MAPTHTT
SCHEMBL28331620 0.82 KCNJ1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL27730809 0.81 MAPT (0.46) WDR5MAPTSMN1; SMN2HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443102-A Bicyclic carboxamide inhibitors of kinases ABBVIE INC 2013-12-11 CN disclosed
CN-102796099-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG 2012-11-28 CN disclosed
CN-101495477-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-29 CN disclosed