SCHEMBL10545822

SCHEMBL10545822

CC(=O)Nc1cc(N)c(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
HDAC1 Q13547 8/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 3/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14354434 0.86 CA1 (0.47) CA1CA2CA9HDAC1HDAC6
SCHEMBL18797540 0.84 NPC1 (0.42) CA1CA2CA9HDAC1HDAC6
SCHEMBL25804814 0.84 NPC1 (0.55) CA1CA2CA9HDAC1HDAC6
SCHEMBL11576400 0.84 CA1 (0.51) CA1CA2CA9HDAC1HDAC6
SCHEMBL2308156 0.84 CA1 (0.50) CA1CA2CA9HDAC1HDAC6
SCHEMBL18821159 0.83 HPGD (0.41) CA1CA2CA9HDAC1NPC1
SCHEMBL15496681 0.81 HDAC1 (0.49) CA1CA2CA9HDAC1HDAC6
SCHEMBL11575326 0.81 CA1 (0.45) CA1CA2CA9HDAC1HDAC3
SCHEMBL23579625 0.80 HDAC1 (0.51) CA1CA2CA9HDAC1HDAC6
SCHEMBL30987572 0.80 HDAC1 (0.51) CA1CA2CA9HDAC1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801408-A 3-AMINO-4-FLUORO-6-HALOPHENYLTHIOACETIC ACIDS, 5-SUBSTITUTED ACETANILIDES, HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-31 US disclosed
EP-0126419-B1 2-SUBSTITUTED PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE-1,3-DIONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
US-4709049-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
US-4684397-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-04 US disclosed
EP-0126419-A1 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-28 EP disclosed