SCHEMBL4787706

SCHEMBL4787706

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)C=Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 6/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL4787699 1.00 MEN1 (0.43) MEN1KMT2AKDM4EHDAC1HDAC3
SCHEMBL4787691 1.00 MEN1 (0.43) MEN1KMT2AKDM4EHDAC1HDAC3
SCHEMBL4017819 0.90 MEN1 (0.47) MEN1KMT2AKDM4EHDAC1HDAC3
SCHEMBL4017825 0.90 MMP1 (0.50) MEN1KMT2AHDAC4SMN1; SMN2L3MBTL1
SCHEMBL4668517 0.89 MEN1 (0.43) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL4755393 0.89 MEN1 (0.43) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL4014345 0.89 MMP1 (0.48) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL4017820 0.89 MAPT (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL4017823 0.89 MAPT (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL4668510 0.89 NAMPT (0.47) MEN1KMT2AHDAC1HDAC3HDAC2

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 1 patent. 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 disclosed