SCHEMBL3261013

SCHEMBL3261013

Cc1[nH]c2c(F)cc(Br)cc2c1CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ANO1 Q5XXA6 1/20 0.36
GPR17 Q13304 1/20 0.36
ALDH1A1 P00352 4/20 0.35
DGAT1 O75907 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
BTK Q06187 1/20 0.32
AKR1C2 P52895 1/20 0.32
POLB P06746 1/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL13802391 0.87 KDM4E (0.51) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3263047 0.85 MAPT (0.39) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3379855 0.83 MAP2 (0.47) SIRT1MAPTKDM4EGAAMEN1
SCHEMBL3264690 0.81 AKR1C2 (0.47) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3382968 0.81 ICMT (0.38) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL3234383 0.79 SMN1; SMN2 (0.47) MAPTKDM4EGPR17CYP1A2CYP3A4
SCHEMBL3636076 0.78 KDM4E (0.55) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL14720178 0.76 DGAT1 (0.46) SIRT1MEN1KMT2AGPR17DGAT1
SCHEMBL3261669 0.75 KDM4E (0.44) SIRT1MAPTKDM4EGAAMEN1
SCHEMBL3382173 0.74 SIRT1 (0.38) SIRT1MAPTKDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010012396-A1 5,6 SUBSTITUTED BENZAMIDE DERIVATIVES AS MODULATORS OF THE EP<SB>2 </SB>RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed