SCHEMBL16208490

SCHEMBL16208490

O=[N+]([O-])c1cccc(Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.81
MPO P05164 1/20 0.64
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
ABCG2 Q9UNQ0 5/20 0.58
TRPV1 Q8NER1 1/20 0.55
GRIK1 P39086 1/20 0.54
RXFP1 Q9HBX9 2/20 0.54
EGFR P00533 1/20 0.52
DDX3X O00571 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
ARNT P27540 1/20 0.51
EPAS1 Q99814 1/20 0.51
CFTR P13569 1/20 0.50
MAOB P27338 1/20 0.50

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 0.92 KIF11 (0.78) KIF11MPOMEN1MAPTKMT2A
SCHEMBL7043192 0.89 KIF11 (1.00) KIF11MPOMEN1MAPTKMT2A
SCHEMBL17103663 0.85 MEN1 (0.75) KIF11MPOMEN1MAPTKMT2A
SCHEMBL439710 0.85 TSHR (0.61) KIF11MPOMEN1MAPTKMT2A
SCHEMBL29703748 0.85 TSHR (0.61) KIF11MPOMEN1MAPTKMT2A
SCHEMBL394734 0.85 KMT2A (0.67) KIF11MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL155429 0.83 KIF11 (0.59) KIF11MPOMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL155430 0.83 KIF11 (0.59) KIF11MPOMEN1MAPTKMT2A
SCHEMBL29203888 0.83 KIF11 (0.59) KIF11MPOMEN1MAPTKMT2A
SCHEMBL30865102 0.83 KIF11 (0.59) KIF11MPOMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014174745-A1 Eg5 INHIBITOR 国立大学法人京都大学 (JP) 2014-10-30 WO disclosed