SCHEMBL10887828

SCHEMBL10887828

CCOC(C)n1cnc(-c2ccccc2)c1-c1cc(C)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
NSD3 Q9BZ95 1/20 0.34
FAAH O00519 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
TEK Q02763 3/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
PTGS2 P35354 1/20 0.32
HPGDS O60760 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
FRK P42685 1/20 0.31

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
SCHEMBL11095461 0.89 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7084894 0.81 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL10846339 0.80 KDM5B (0.32)
SCHEMBL10887823 0.74 LMNA (0.41) LMNANSD3FAAHMAPK13MAPK12
SCHEMBL10847804 0.71 LMNA (0.35) LMNANSD3FAAHMAPTL3MBTL1
SCHEMBL11175120 0.70 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL9370596 0.67 LMNA (0.43) LMNANSD3FAAHMAPK13MAPK12
SCHEMBL20466312 0.66 MAPK14 (0.60) LMNANSD3FAAHMAPK13MAPK12
SCHEMBL11083061 0.64 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL9257885 0.64 MEN1 (0.55) LMNAMAPTL3MBTL1TSHRNPC1

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
US-4576958-A VASODILATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-18 US disclosed