SCHEMBL9840561

SCHEMBL9840561

CCCCc1cnc(-c2ccc(OC(=O)C(CC)CCC)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.51
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RAB9A P51151 8/20 0.41

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
SCHEMBL9840291 0.97 RARB (0.56) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9839806 0.95 RARB (0.58) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9840377 0.95 RARB (0.58) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9840512 0.95 RARB (0.58) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9839577 0.95 RARB (0.58) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9840224 0.95 RARB (0.53) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9840370 0.93 MAPT (0.46) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9840788 0.92 RARB (0.58) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9839540 0.91 RARB (0.60) RARBMAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL9840775 0.91 RARB (0.60) RARBMAPTSMN1; SMN2L3MBTL1GAA

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