SCHEMBL7781072

SCHEMBL7781072

Nc1cccc(OCBr)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
FOLH1 Q04609 4/20 0.39
MMP2 P08253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.34
PTK2B Q14289 1/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6469761 0.83 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10795237 0.80 CYP1A2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7713669 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6467474 0.79 CYP1A2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL27585303 0.79 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28170436 0.78 PPARA (0.49) CA12CA1CA2CA7CA9
SCHEMBL284305 0.77 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL1558023 0.76 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL4475569 0.75 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL4475575 0.75 CA12 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed