SCHEMBL5146865

SCHEMBL5146865

O=C(O)c1ccc(-c2ccccc2)cc1NC(=O)c1csc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.58
PRSS12 P56730 3/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
PIN1 Q13526 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 3/20 0.47
GFER P55789 2/20 0.47

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
SCHEMBL1307335 0.85 GRIK1 (0.54) PRSS12HDAC2HDAC3HDAC4HDAC1
SCHEMBL2267924 0.82 PRSS12 (0.52) PRSS12HDAC2HDAC3HDAC4HDAC1
SCHEMBL2273887 0.82 HDAC3 (0.49) PRSS12HDAC2HDAC3HDAC4HDAC1
SCHEMBL1320352 0.77 ACMSD (0.68) ACLYHDAC2HDAC1GFERMEN1
SCHEMBL2275453 0.77 ACLY (0.76) ACLYHDAC2HDAC3HDAC1RAB9A
SCHEMBL2270222 0.77 DHODH (0.77) ACLYHDAC2HDAC3HDAC1RAB9A
SCHEMBL2272508 0.76 ACLY (0.63) ACLYHDAC1ALDH1A1GFERHTT
SCHEMBL2272453 0.76 ACLY (0.63) ACLYHDAC2HDAC1ALDH1A1HPGD
SCHEMBL1318525 0.76 ACLY (0.67) ACLYHDAC2HDAC3HDAC1GFER
SCHEMBL2269832 0.75 HDAC3 (0.74) ACLYHDAC3HDAC1SMN1; SMN2ALDH1A1

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-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 EP disclosed