SCHEMBL3421799

SCHEMBL3421799

NC(=O)C1(c2cc[nH]n2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
AKR1C1 Q04828 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
HDAC4 P56524 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3420299 0.93 LMNA (0.34) LMNA
SCHEMBL6488751 0.81 LMNA (0.35) LMNAAKR1C1NPSR1ALDH1A1HTT
SCHEMBL29168030 0.77
SCHEMBL25262861 0.72 MEN1 (0.33) LMNANPSR1ALDH1A1HTTMEN1
SCHEMBL1763518 0.72 BCHE (0.33) L3MBTL1
SCHEMBL30714349 0.70 CYP19A1 (0.31)
SCHEMBL89807 0.69 LMNA (0.51) LMNAAKR1C1PRKAB2PRKAG1PRKAA2
SCHEMBL22163905 0.69 OPRM1 (0.48)
SCHEMBL28707092 0.68 ALDH1A1 (0.34) NPSR1ALDH1A1HTTMEN1KMT2A
SCHEMBL5201676 0.68 LMNA (0.51) LMNAAKR1C1PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed