SCHEMBL6178969

SCHEMBL6178969

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.75
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPK13 O15264 1/20 0.46
RIPK2 O43353 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6178962 0.91 MAPK14 (0.89) MAPK14KMT2ACDK2PRKACAROCK1
SCHEMBL6180514 0.89 MAPK14 (0.89) MAPK14ALDH1A1MEN1KMT2AMAPK13
SCHEMBL6178004 0.87 MAPK14 (0.82) MAPK14ALDH1A1MAPTKMT2AMAPK1
SCHEMBL6176420 0.86 MAPK14 (0.81) MAPK14ALDH1A1MAPTKMT2ATP53
SCHEMBL6179153 0.86 MAPK14 (0.81) MAPK14KMT2AMAPK13ALOX5MAPK12
SCHEMBL6179313 0.86 MAPK14 (0.81) MAPK14KMT2AMAPK13LMNARAB9A
SCHEMBL6177800 0.86 MAPK14 (1.00) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL6177353 0.85 MAPK14 (0.79) MAPK14KMT2ATP53CDK2PRKACA
SCHEMBL6177710 0.84 MAPK14 (0.78) MAPK14ALDH1A1MEN1MAPTKMT2A
SCHEMBL6178765 0.84 MAPK14 (0.71) MAPK14ALDH1A1MEN1MAPTKMT2A

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