SCHEMBL5046849

SCHEMBL5046849

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
NR1H2 P55055 10/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NR1H3 Q13133 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
CFTR P13569 1/20 0.30
CHRM4 P08173 1/20 0.30
SCN7A Q01118 1/20 0.30
SCN5A Q14524 1/20 0.30
GPR183 P32249 1/20 0.30
CACNA1H O95180 1/20 0.30

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
SCHEMBL3054403 0.93 NR1H2 (0.36) NR1H2POLBMAPTMMP1MMP9
SCHEMBL3042182 0.93 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3040914 0.92 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3034029 0.91 NR1H2 (0.36) P2RX7NR1H2ATRATRIP
SCHEMBL3040414 0.91 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL3046531 0.91 SMN1; SMN2 (0.35) P2RX7NR1H2NR1H3
SCHEMBL3044012 0.91 NR1H2 (0.37) NR1H2
SCHEMBL3039560 0.91 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3044144 0.89 NR1H2 (0.33) NR1H2NR1H3ATRATRIP
SCHEMBL3045896 0.89 MEN1 (0.34) NR1H2

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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed