SCHEMBL4668517

SCHEMBL4668517

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1cncnc1

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 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 3/20 0.35
PADI4 Q9UM07 2/20 0.35
POLB P06746 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
RECQL P46063 1/20 0.35
HDAC4 P56524 2/20 0.35
MEF2D Q14814 1/20 0.35
MAPT P10636 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HDAC3 O15379 2/20 0.34
NCOR2 Q9Y618 2/20 0.34

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
SCHEMBL4755393 1.00 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP1A2
SCHEMBL4668510 0.90 NAMPT (0.47) MEN1KMT2AHDAC1NAMPTHDAC4
SCHEMBL4754745 0.90 NAMPT (0.47) MEN1KMT2AHDAC1NAMPTHDAC4
SCHEMBL4754759 0.89 MEN1 (0.42) MEN1KMT2AHDAC1L3MBTL1CYP1A2
SCHEMBL4669474 0.89 MEN1 (0.42) MEN1KMT2AHDAC1L3MBTL1CYP1A2
SCHEMBL4787706 0.89 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP1A2
SCHEMBL4787691 0.89 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP1A2
SCHEMBL4787699 0.89 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP1A2
SCHEMBL4017825 0.87 MMP1 (0.50) MEN1KMT2AL3MBTL1POLBMMP1
SCHEMBL4017819 0.87 MEN1 (0.47) MEN1KMT2AHDAC1L3MBTL1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2003118-A1 Cinnamic acid derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
EP-2003118-A1 Cinnamic acid derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed