SCHEMBL16615792

SCHEMBL16615792

CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ RAB9A P51151 4/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ TRPV1 Q8NER1 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ NAMPT P43490 1/20 0.56

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
SCHEMBL16615796 0.86 GFER (0.56) HDAC1HDAC6RAB9ACA12CA1
SCHEMBL1003735 0.84 TP53 (0.68) HDAC1HDAC6GAAMAPTALDH1A1
SCHEMBL16615800 0.82 RORC (0.66) HDAC1HDAC6RAB9AHDAC3HDAC2
SCHEMBL16615807 0.80 NPC1 (0.63) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL9694832 0.79 MLYCD (0.72) HDAC1HDAC6SMN1; SMN2NPC1GAA
SCHEMBL18103163 0.79 NPC1 (0.88) HDAC6RAB9AHDAC2CACNA1BAPBA1
SCHEMBL14715824 0.79 NPC1 (0.88) HDAC6RAB9AHDAC2CACNA1BAPBA1
SCHEMBL9877204 0.78 CACNA1B (0.65) RAB9ACACNA1BAPBA1SMN1; SMN2NPC1
SCHEMBL27611454 0.78 RORC (0.65) HDAC1HDAC6RAB9AHDAC3HDAC2
SCHEMBL4167802 0.78 TP53 (0.59) HDAC1HDAC6GAAMAPTALDH1A1

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
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 — — WO disclosed
Send feedback