SCHEMBL15054549

SCHEMBL15054549

N#Cc1cc(Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.64
▸ MPO P05164 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ VCAM1 P19320 1/20 0.48
▸ ABCG2 Q9UNQ0 3/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ GRIK1 P39086 1/20 0.43
▸ ARNT P27540 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TEAD1 P28347 1/20 0.41
▸ TEAD4 Q15561 1/20 0.41
▸ TEAD2 Q15562 1/20 0.41

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
SCHEMBL6841678 0.87 KIF11 (0.78) KIF11MPOMEN1LMNAMAPT
SCHEMBL16208490 0.83 KIF11 (0.81) KIF11MPOMEN1LMNAMAPT
SCHEMBL27374858 0.79 TDO2 (0.49) KIF11MPOMAPTTAS2R14TDO2
SCHEMBL30751439 0.79 TDO2 (0.49) KIF11MPOMAPTTAS2R14TDO2
SCHEMBL7043192 0.79 KIF11 (1.00) KIF11MPOMEN1LMNAMAPT
SCHEMBL23554076 0.79 MAPT (0.61) KIF11MEN1LMNAMAPTKMT2A
SCHEMBL15054166 0.77 VCAM1 (0.56) KIF11MEN1LMNAMAPTKMT2A
SCHEMBL16481386 0.76 AKR1C3 (0.54) KIF11MAPTTAS2R14TDO2RXFP1
SCHEMBL11145707 0.76 KIF11 (0.68) KIF11MPOMEN1LMNAMAPT
SCHEMBL2480998 0.75 VCAM1 (0.67) KIF11VCAM1TAS2R14RXFP1

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
WO-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
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