SCHEMBL4669463

SCHEMBL4669463

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1cncc(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAF1 P04049 2/20 0.39
PKMYT1 Q99640 1/20 0.39
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 3/20 0.34
GSK3B P49841 4/20 0.33
MAPT P10636 1/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 3/20 0.33
SIRT3 Q9NTG7 3/20 0.33

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
SCHEMBL4669466 1.00 MEN1 (0.39) MEN1KMT2ARAF1PKMYT1HDAC1
SCHEMBL13980255 0.92 MEN1 (0.39) MEN1KMT2ARAF1PKMYT1HDAC1
SCHEMBL4667868 0.91 RAF1 (0.43) MEN1KMT2ARAF1HDAC1HDAC6
SCHEMBL4670669 0.91 MEN1 (0.42) MEN1KMT2AHDAC1HDAC6L3MBTL1
SCHEMBL4668484 0.87 MEN1 (0.44) MEN1KMT2AHDAC1HDAC6MAPT
SCHEMBL4668517 0.86 MEN1 (0.43) MEN1KMT2AHDAC1HDAC6L3MBTL1
SCHEMBL4755393 0.86 MEN1 (0.43) MEN1KMT2AHDAC1HDAC6L3MBTL1
SCHEMBL4754383 0.85 MEN1 (0.41) MEN1KMT2AHDAC1L3MBTL1GSK3B
SCHEMBL4669255 0.85 MEN1 (0.41) MEN1KMT2AHDAC1L3MBTL1GSK3B
SCHEMBL4668510 0.84 NAMPT (0.47) MEN1KMT2AHDAC1HDAC6NAMPT

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-2003118-A1 Cinnamic acid derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
EP-2003118-A1 Cinnamic acid derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed