SCHEMBL5201850

SCHEMBL5201850

CN1CCN(c2ccc(N)c(N3CCCCC3)c2)CC1.O=[N+]([O-])c1ccc(F)cc1N1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
MAPT P10636 13/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 4/20 0.59
NPSR1 Q6W5P4 3/20 0.59
SIRT6 Q8N6T7 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 4/20 0.56
GAA P10253 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56
PTK2B Q14289 1/20 0.56
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL3536472 0.87 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL31000456 0.87 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL5322795 0.83 ALDH1A1 (0.64) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL22094803 0.80 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL3538126 0.80 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL31000427 0.80 MAPT (0.87) ALDH1A1MAPTL3MBTL1LMNASIRT6
SCHEMBL3533660 0.80 MAPT (0.87) ALDH1A1MAPTL3MBTL1LMNASIRT6
Hydrochloric Acid SCHEMBL3539659 0.79 MAPT (0.84) ALDH1A1MAPTL3MBTL1LMNANPSR1
SCHEMBL22094933 0.79 MAPT (0.97) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL3536564 0.79 MAPT (0.97) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1

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
EP-1807407-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
WO-2006047504-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed