SCHEMBL5228559

SCHEMBL5228559

CCc1nn(C(C)NC(=O)O)c(Cn2cccn2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KLKB1 P03952 2/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PPARG P37231 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL509399 0.80 MAPT (0.36) KEAP1NFE2L2KLKB1MAPTPTGDR2
SCHEMBL5227599 0.74 ADCY10 (0.33) KLKB1MAPTPTGDR2
SCHEMBL5233666 0.74 PTGDR2 (0.33) KLKB1MAPTPTGDR2
SCHEMBL10285156 0.73 DRD2 (0.34) KLKB1MAPTPTGDR2
SCHEMBL509217 0.73 PTGDR2 (0.38) MAPTPTGDR2CARM1PRMT6PPARG
SCHEMBL5556430 0.70 ADCY10 (0.34) KLKB1MAPT
SCHEMBL14540663 0.67 MAPT (0.36) KLKB1MAPTPTGDR2
SCHEMBL508683 0.66 PTGDR2 (0.46) MAPTPTGDR2
SCHEMBL509867 0.65 MAPT (0.40) MAPTPTGDR2CARM1PRMT6
SCHEMBL10250143 0.65 PTGDR2 (0.40) MAPTMAPK1PTGDR2MEN1TSHR

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed