SCHEMBL5756953

SCHEMBL5756953

O=C(O)c1c(Br)cccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PRNP P04156 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
FOLH1 Q04609 2/20 0.38
BID P55957 4/20 0.37
MCL1 Q07820 4/20 0.37
BCL2L1 Q07817 3/20 0.37
BAK1 Q16611 3/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL5693093 0.87 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6122758 0.85 FOLH1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10491448 0.84 GABRA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27860026 0.82 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL22746071 0.82 DUSP3 (0.59) CA12CA1CA2CA7CA9
SCHEMBL570378 0.80 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8384722 0.80 FOLH1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL22090410 0.79 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2866815 0.78 ALDH1A1 (0.47) ALDH1A1FEN1
SCHEMBL5693066 0.78 L3MBTL1 (0.47) 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-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed