SCHEMBL5487329

SCHEMBL5487329

Cc1ncccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.62
KDR P35968 3/20 0.56
EPHX2 P34913 3/20 0.55
GRM4 Q14833 3/20 0.55
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CFTR P13569 1/20 0.51
MAPK14 Q16539 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
BRAF P15056 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
SCHEMBL7862109 0.81 KDR (0.63) NR3C1KDREPHX2GAASMN1; SMN2
SCHEMBL4974321 0.80 EPHX2 (0.70) KDREPHX2GAASMN1; SMN2MAPK14
SCHEMBL11926736 0.79 KDM4E (0.65) KDREPHX2GAASMN1; SMN2MAPK14
SCHEMBL11708109 0.78 ALDH1A1 (0.62) GAASMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL2871425 0.78 SMN1; SMN2 (0.49) NR3C1KDREPHX2GRM4SMN1; SMN2
SCHEMBL17980875 0.77 NR3C1 (1.00) NR3C1
SCHEMBL17743256 0.76 NR3C1 (0.56) NR3C1KDREPHX2GAASMN1; SMN2
SCHEMBL10916417 0.75 SMN1; SMN2 (0.59) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL20413378 0.75 NR3C1 (0.76) NR3C1EPHX2MAPK14BRAF
SCHEMBL4551653 0.75 DDR2 (0.55) NR3C1KDRMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed