SCHEMBL3263033

SCHEMBL3263033

COc1ccc(C(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL3382767 0.91 KDM4E (0.56) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3261033 0.90 LMNA (0.55) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3260174 0.90 LMNA (0.55) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3262306 0.90 KDM4E (0.55) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3637912 0.89 LMNA (0.56) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3378990 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3262940 0.87 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3232656 0.86 MAPT (0.63) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3637611 0.84 MEN1 (0.62) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL3260936 0.83 LMNA (0.54) ALDH1A1KDM4ELMNAMAPK1MAPT

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
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
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 disclosed
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 disclosed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed