SCHEMBL6178772

SCHEMBL6178772

O=C(Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.61
RIPK3 Q9Y572 1/20 0.38
DCAF1 Q9Y4B6 1/20 0.38
MAPK13 O15264 5/20 0.37
MAPK12 P53778 5/20 0.37
MAPK11 Q15759 5/20 0.37
MEN1 O00255 1/20 0.35
RIPK2 O43353 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL6178434 0.86 MAPK14 (0.67) MAPK14RIPK3DCAF1MAPK13MAPK12
SCHEMBL6177632 0.85 MAPK14 (0.66) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6176683 0.84 MAPK14 (0.65) MAPK14RIPK3DCAF1MAPK13MAPK12
SCHEMBL6177380 0.84 MAPK14 (0.65) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6175326 0.84 MAPK14 (0.65) MAPK14RIPK3DCAF1MAPK13MAPK12
SCHEMBL4331518 0.83 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6193980 0.82 MAPK14 (0.63) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6178135 0.82 MAPK14 (0.64) MAPK14RIPK3ALDH1A1LMNAMAPT
SCHEMBL6176087 0.79 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6175810 0.78 MAPK14 (0.71) MAPK14ALDH1A1ALOX5MAPTRAB9A

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
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed