SCHEMBL17899787

SCHEMBL17899787

O=C(NCCc1ccc(O)c(O)c1)c1ccc(CBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA9 Q16790 3/20 0.69
CA7 P43166 1/20 0.69
CA14 Q9ULX7 1/20 0.69
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
PTGS1 P23219 1/20 0.59
BLM P54132 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NAMPT P43490 1/20 0.56
ALPL P05186 1/20 0.54
PTGS2 P35354 1/20 0.54

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
SCHEMBL108112 0.88 CA1 (0.72) CA1CA2CA9CA7CA14
SCHEMBL16417857 0.86 CA1 (0.69) CA1CA2CA9CA7CA14
SCHEMBL22773358 0.85 CA1 (0.69) CA1CA2CA9CA7CA14
SCHEMBL30668181 0.85 MEN1 (0.82) CA1CA2CA9CA7CA14
SCHEMBL16091708 0.83 MEN1 (0.74) CA1CA2CA9CA7CA14
SCHEMBL10117471 0.81 ALDH1A1 (0.65) CA1CA2CA9CA7CA14
SCHEMBL28392508 0.79 CA1 (0.65) CA1CA2CA9CA7CA14
SCHEMBL1367702 0.79 NPC1 (0.75) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL12972260 0.78 MAPT (0.66) CA1CA2CA9CA7CA14
SCHEMBL7709592 0.78 MEN1 (0.80) CA1CA2CA9CA7CA14

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
US-9732249-B2 Composite material, and polymer coating material precursor produced using same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-08-15 US disclosed
US-20160194513-A1 NOVEL COMPOSITE MATERIAL, AND POLYMER COATING MATERIAL PRECURSOR PRODUCED USING SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-07-07 US disclosed