SCHEMBL27748488

SCHEMBL27748488

CC(C)(C)C(=O)ON1CCN(c2ccc(N)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
RAD52 P43351 1/20 0.54
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
HTT P42858 2/20 0.49
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
YWHAG P61981 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY2R P49146 7/20 0.39
NR1H2 P55055 1/20 0.39
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL27944975 0.87 MAPT (0.52) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL27666678 0.86 MAPT (0.50) MAPTKDM4ERAD52ALDH1A1HTT
SCHEMBL28334260 0.85 NR4A1 (0.43) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL28794456 0.84 MEN1 (0.39) MAPTKDM4ERAD52ALDH1A1HTT
SCHEMBL28256698 0.84 NPY2R (0.41) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL27945501 0.84 MAPT (0.33) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL27730809 0.84 MAPT (0.46) MAPTKDM4EPOLBHTTGAA
SCHEMBL27751352 0.83 MAPT (0.45) MAPTKDM4EALDH1A1HTTGAA
SCHEMBL28806302 0.80 ALDH1A1 (0.59) MAPTALDH1A1HTTGAASMN1; SMN2
SCHEMBL993225 0.80 MAPT (0.55) MAPTKDM4ERAD52ALDH1A1POLB

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-103443102-A Bicyclic carboxamide inhibitors of kinases ABBVIE INC 2013-12-11 CN disclosed
CN-103415516-A Bicyclic inhibitors of ALK ABBOTT LAB 2013-11-27 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