SCHEMBL4016316

SCHEMBL4016316

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
TET3 O43151 1/20 0.40
BRD4 O60885 1/20 0.40
FOXO1 Q12778 1/20 0.40
TET2 Q6N021 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
TET1 Q8NFU7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL4017819 0.92 MEN1 (0.47) MEN1KMT2AHDAC1HDAC4HDAC3
SCHEMBL4017820 0.91 MAPT (0.50) MEN1KMT2AMAPTNLRP3LMNA
SCHEMBL4017823 0.91 MAPT (0.50) MEN1KMT2AMAPTNLRP3LMNA
SCHEMBL4014345 0.91 MMP1 (0.48) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL13982589 0.90 MEN1 (0.43) MEN1KMT2AHDAC1HDAC4HDAC3
SCHEMBL4017825 0.90 MMP1 (0.50) MEN1KMT2AHDAC4MAPTNLRP3
SCHEMBL4668502 0.89 MEN1 (0.43) MEN1KMT2AHDAC1HDAC4HDAC3
SCHEMBL4752215 0.89 MEN1 (0.43) MEN1KMT2AHDAC1HDAC4HDAC3
SCHEMBL4015839 0.89 MEN1 (0.44) MEN1KMT2AHDAC4MAPTNLRP3
SCHEMBL4668484 0.88 MEN1 (0.44) MEN1KMT2AHDAC1HDAC4HDAC3

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