SCHEMBL6445478

SCHEMBL6445478

CC(O)c1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
PDK1 Q15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.35
LMNA P02545 1/20 0.34
EPAS1 Q99814 1/20 0.34
PARP14 Q460N5 1/20 0.34
ADRB2 P07550 2/20 0.33
SLC6A3 Q01959 1/20 0.33
ADRB1 P08588 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL5998388 0.88 KDR (0.34) KDRRAPGEF4PDK1KDM4EMEN1
SCHEMBL1626098 0.86 ADRB2 (0.39) KDRRAPGEF4PDK1KDM4EMEN1
SCHEMBL1626104 0.84 LMNA (0.35) KDRRAPGEF4PDK1KDM4EMEN1
SCHEMBL1625527 0.84 LMNA (0.35) KDRRAPGEF4PDK1KDM4EMEN1
SCHEMBL1625664 0.84 LMNA (0.35) KDRRAPGEF4PDK1KDM4EMEN1
SCHEMBL7146280 0.83 KDR (0.37) KDRPDK1ALDH1A1GAAMAPT
SCHEMBL27581312 0.80 EPAS1 (0.53) PDK1MEN1ALDH1A1GAAMAPT
SCHEMBL1625847 0.78 AR (0.36) KDRRAPGEF4KDM4EMEN1ALDH1A1
SCHEMBL1625837 0.77 TRPV1 (0.46) KDRKDM4EMEN1ALDH1A1GAA
SCHEMBL5521825 0.76 IDO1 (0.38) KDRRAPGEF4PDK1KDM4EMEN1

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
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed