SCHEMBL5489718

SCHEMBL5489718

COc1c(Br)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
MAPK14 Q16539 4/20 0.47
MAPK13 O15264 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
CFTR P13569 1/20 0.44
KDR P35968 4/20 0.44
RET P07949 2/20 0.43
BRAF P15056 1/20 0.42
RAF1 P04049 1/20 0.42
NR1I2 O75469 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
EPHX2 P34913 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL14534690 0.92 NR3C1 (0.52) NR3C1MAPK14MAPK13MAPK9MAPK12
SCHEMBL14534668 0.87 NR3C1 (0.47) NR3C1MAPK14MAPK13MAPK9MAPK12
SCHEMBL5497982 0.82 MAPK14 (0.52) NR3C1MAPK14MAPK9BRAFRAF1
SCHEMBL4409868 0.80 ALDH1A1 (0.47) MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL4551653 0.75 DDR2 (0.55) NR3C1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14534449 0.74 LMNA (0.46) NR3C1NPC1RAB9ASMN1; SMN2
SCHEMBL5487329 0.73 NR3C1 (0.62) NR3C1MAPK14MAPK13MAPK9MAPK12
SCHEMBL4551652 0.73 NR3C1 (0.53) NR3C1MAPK14MAPK13MAPK9MAPK12
SCHEMBL14534466 0.72 MAPK14 (0.45) MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL4413445 0.71 LMNA (0.44) NR3C1MAPK14BRAFNPC1RAB9A

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