SCHEMBL27618366

SCHEMBL27618366

CCc1nc2cc([N+](=O)[O-])c(Cl)cc2n1-c1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 7/20 0.40
ALDH1A1 P00352 4/20 0.40
PGK1 P00558 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL27618420 0.82 KMT2A (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7100254 0.81 PDE10A (0.34) KMT2A
SCHEMBL6425324 0.80 NR1H2 (0.35) ALDH1A1LMNAMAPTCA12CA9
SCHEMBL27600064 0.79 PDE10A (0.32)
SCHEMBL5772661 0.79 PPARG (0.36) KMT2ACA12CA9SMN1; SMN2
SCHEMBL7097335 0.79 NR1H2 (0.37)
SCHEMBL27618382 0.78 PDE10A (0.38) DCTPP1ALDH1A1
SCHEMBL1623967 0.78 PGK1 (0.40) DCTPP1ALDH1A1PGK1MEN1KMT2A
SCHEMBL27582732 0.78 CYP1A2 (0.41) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL27600071 0.78 PDE10A (0.40) ALDH1A1MEN1KMT2A

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
CN-100579518-C Use of EP4 receptor ligands for the manufacture of a medicament for the treatment of IL-6 related disorders PFIZER 2010-01-13 CN disclosed
CN-101023946-A Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER (US) 2007-08-29 CN disclosed
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN disclosed