SCHEMBL3459740

SCHEMBL3459740

COc1cccc(Br)c1C(=O)CBr

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HPGDS O60760 1/20 0.47
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LY96 Q9Y6Y9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 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
SCHEMBL755355 0.89 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL27832518 0.86 CA9 (0.52) CA12CA1CA2CA7CA9
SCHEMBL16921588 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL23117231 0.83 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL16661301 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL23292478 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL25707113 0.80 CA9 (0.57) CA12CA1CA2CA7CA9
SCHEMBL30676336 0.80 CA9 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1717361 0.80 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL16787530 0.80 HPGDS (0.49) CA12CA1CA2CA7CA9

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-2261224-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-15 EP disclosed