SCHEMBL5224742

SCHEMBL5224742

COc1ccc(N)c(N2CCCCC2)c1.COc1ccc([N+](=O)[O-])c(N2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
MAPT P10636 10/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 8/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5098517 0.92 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL9515788 0.91 MAPT (0.63) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL5092055 0.85 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5483633 0.81 MAPT (0.65) ALDH1A1MAPTL3MBTL1CYP2C19LMNA
SCHEMBL22471070 0.80 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22471148 0.80 MAPT (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22470988 0.79 MAPT (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL22471135 0.79 MAPT (0.60) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL2062011 0.79 MAPT (0.63) ALDH1A1MAPTL3MBTL1CYP2C19LMNA
SCHEMBL22471055 0.79 KDM4E (0.51) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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-1812425-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP disclosed
WO-2006047479-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed