SCHEMBL6594341

SCHEMBL6594341

Fc1cccc(-c2nn3cc(Cl)ccc3c2Br)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACLY P53396 1/20 0.35
PDE7A Q13946 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
PTGER1 P34995 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
NT5E P21589 1/20 0.33
HTR7 P34969 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
SCHEMBL6598145 0.83 MAPK14 (0.63) MAPK14KMT2ASMN1; SMN2
SCHEMBL6592866 0.83 MAPK14 (0.45) MAPK14ALDH1A1KDM4EKMT2ALMNA
SCHEMBL5367429 0.83 MAPK14 (0.48) MAPK14KDM4E
SCHEMBL5393887 0.76 TRPA1 (0.47) MAPK14KDM4EKMT2ALMNAMAPT
SCHEMBL7841690 0.75 MAPK14 (0.51) MAPK14
SCHEMBL6595243 0.74 MAPK14 (0.53) MAPK14MAPT
SCHEMBL23998482 0.72 MAPK1 (0.39) ALDH1A1KDM4EXBP1MAPK1HTT
SCHEMBL30250869 0.72 MAPK1 (0.39) ALDH1A1KDM4EXBP1MAPK1HTT
SCHEMBL23389936 0.70 CCR1 (0.40) MAPK14THRB
SCHEMBL29796504 0.70 CCR1 (0.40) MAPK14THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157025-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2004-03-10 EP disclosed
US-6498166-B1 POTENT AND SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2; TREATING PAIN, FEVER AND INFLAMMATION SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1157025-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2001-11-28 EP disclosed
WO-2000052008-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2000-09-08 WO disclosed