SCHEMBL16433656

SCHEMBL16433656

C=CCOC(C/C=N\O)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
TACR1 P25103 2/20 0.35
TEAD3 Q99594 1/20 0.35
SLC1A1 P43005 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.34
FOLH1 Q04609 1/20 0.34

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
SCHEMBL2109384 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL2622832 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL2109381 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL2109388 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL1934779 0.90 TDP1 (0.40) CA1CA2CA7CA9HTT
SCHEMBL1934778 0.90 TDP1 (0.40) CA1CA2CA7CA9HTT
SCHEMBL14739550 0.86 CA1 (0.45) CA1CA2CA7CA9HTT
SCHEMBL2109601 0.82 TDP1 (0.44) CA1CA2CA7CA9HTT
SCHEMBL2622825 0.82 TDP1 (0.44) CA1CA2CA7CA9HTT
SCHEMBL2109597 0.82 TDP1 (0.44) CA1CA2CA7CA9HTT

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
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed