SCHEMBL4754759

SCHEMBL4754759

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)C=Cc1cnc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.35
POLB P06746 3/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC4 P56524 3/20 0.34
MEF2D Q14814 2/20 0.34
HDAC3 O15379 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
MAPT P10636 1/20 0.34
NLRP3 Q96P20 1/20 0.34
EP300 Q09472 1/20 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
SCHEMBL4669474 1.00 MEN1 (0.42) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4669255 0.90 MEN1 (0.41) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4754383 0.90 MEN1 (0.41) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4668517 0.89 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4755393 0.89 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL13982589 0.88 MEN1 (0.43) MEN1KMT2AHDAC1CYP2C19CYP1A2
SCHEMBL4787699 0.86 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4787706 0.86 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4787691 0.86 MEN1 (0.43) MEN1KMT2AHDAC1L3MBTL1CYP2C19
SCHEMBL4017825 0.86 MMP1 (0.50) MEN1KMT2AL3MBTL1POLBMMP1

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
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed