SCHEMBL30185536

SCHEMBL30185536

COC(=O)c1ccc2c(ccn2Cc2ccccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.52
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC11 Q96DB2 1/20 0.51
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 3/20 0.47
NR1I2 O75469 1/20 0.47
EPHX2 P34913 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL28566459 1.00 PLAU (0.52) PLAUHDAC8HDAC6HDAC11MEN1
SCHEMBL5881976 0.87 PLAU (0.57) PLAUHDAC8HDAC6HDAC11MEN1
SCHEMBL30185528 0.87 MAPT (0.52) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL28568252 0.87 MAPT (0.52) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL28580014 0.87 HDAC6 (0.52) PLAUHDAC8HDAC6HDAC11HDAC3
SCHEMBL30185538 0.87 HDAC6 (0.52) PLAUHDAC8HDAC6HDAC11HDAC3
SCHEMBL28566467 0.85 PLAU (0.56) PLAUHDAC8HDAC6NPC1RAB9A
SCHEMBL3109875 0.85 HDAC6 (0.61) PLAUHDAC8HDAC6HDAC11HDAC3
SCHEMBL28565911 0.84 KDM4E (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL30185506 0.84 KDM4E (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed