SCHEMBL4016407

SCHEMBL4016407

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL4017359 0.88 MEN1 (0.49) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4019849 0.87 MEN1 (0.44) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4016848 0.87 MEN1 (0.44) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4017528 0.86 MEN1 (0.49) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4015839 0.85 MEN1 (0.44) KMT2AMEN1HDAC4ALDH1A1PTGS2
SCHEMBL4015068 0.85 MEN1 (0.44) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4669256 0.85 MEN1 (0.41) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL13982583 0.84 MEN1 (0.48) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL4017825 0.84 MMP1 (0.50) KMT2AMEN1HDAC4ALDH1A1POLB
SCHEMBL4017819 0.84 MEN1 (0.47) KMT2AMEN1HDAC3HDAC4HDAC1

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-2014287-A1 Use of cinnamic acid derivatives as modulators of an EP2 receptor Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP claimed
EP-2014287-A1 Use of cinnamic acid derivatives as modulators of an EP2 receptor Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP disclosed