SCHEMBL3400920

SCHEMBL3400920

Cc1c(C(=O)O)nnn1-c1ccc(F)nc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
PTGS2 P35354 10/20 0.54
TP53 P04637 4/20 0.44
ALOX12 P18054 1/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
SPR P35270 1/20 0.40

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
SCHEMBL3406737 0.83 TP53 (0.64) PTGS2TP53ALOX12CA2CA1
SCHEMBL3402693 0.82 PTGS2 (0.77) HTTPTGS2TP53ALOX12CA2
SCHEMBL12530243 0.79 PTGS2 (0.40) HTTPTGS2
SCHEMBL20604184 0.79 HTT (0.78) HTTPTGS2TP53ALOX12CA2
SCHEMBL32889301 0.77 PTGS2 (0.82) HTTPTGS2TP53ALOX12CA2
SCHEMBL4771303 0.77 HTT (1.00) HTTPTGS2TP53ALOX12CA2
SCHEMBL16697767 0.76 HTT (0.73) HTTPTGS2TP53ALOX12CA2
SCHEMBL17260096 0.76 PTGS2 (0.77) HTTPTGS2TP53ALOX12CA2
SCHEMBL23130840 0.75 HTT (0.72) HTTPTGS2TP53ALOX12
SCHEMBL8001635 0.75 MAPT (0.58) HTTTP53KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed