SCHEMBL9840370

SCHEMBL9840370

CCCc1cnc(-c2ccc(OC(=O)C(CC)CCC)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
THRB P10828 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
RARB P10826 1/20 0.44
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9840520 0.95 MAPT (0.50) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840561 0.93 RARB (0.51) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840291 0.92 RARB (0.56) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9839577 0.91 RARB (0.58) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9839806 0.91 RARB (0.58) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840512 0.91 RARB (0.58) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840377 0.91 RARB (0.58) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840224 0.88 RARB (0.53) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840788 0.87 RARB (0.58) MAPTTHRBHDAC3HDAC4HDAC1
SCHEMBL9840874 0.86 MAPT (0.46) MAPTTHRBHDAC3HDAC4HDAC1

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-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed