SCHEMBL28247458

SCHEMBL28247458

NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.62
PLG P00747 2/20 0.62
GLO1 Q04760 1/20 0.57
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC3 O15379 3/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ROCK2 O75116 1/20 0.51
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
APP P05067 1/20 0.51
NPC1 O15118 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL30888879 0.88 PLAU (0.57) PLAUPLGHDAC8HDAC6HDAC1
SCHEMBL15971036 0.88 PLAU (0.57) PLAUPLGHDAC8HDAC6HDAC1
SCHEMBL15612932 0.87 HDAC6 (0.58) PLAUPLGHDAC8HDAC6HDAC1
SCHEMBL7877701 0.85 PLAU (0.55) PLAUPLGGLO1HDAC8HDAC6
SCHEMBL12472875 0.85 PLAU (0.74) PLAUPLGHDAC8HDAC6HDAC1
SCHEMBL7706207 0.85 PLAU (0.54) PLAUPLGHDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL7881857 0.84 PLAU (0.54) PLAUPLGGLO1HDAC8HDAC6
SCHEMBL221369 0.84 PLAU (0.60) PLAUPLGHDAC8HDAC6HDAC1
SCHEMBL30067019 0.84 PLAU (0.60) PLAUPLGHDAC8HDAC6HDAC1
SCHEMBL27248488 0.84 PLAU (0.60) PLAUPLGHDAC8HDAC6HDAC1

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
CN-108699035-A Noval chemical compound 特殊治疗有限公司 2018-10-23 CN disclosed