SCHEMBL12967273

SCHEMBL12967273

CCNCCCNC(=O)c1ccc(NC2=CC(/C=C/c3ccncc3)CC=C2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ CASP1 P29466 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NAMPT P43490 2/20 0.31
▸ CFTR P13569 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL12967414 0.89 APP (0.37) KDM4EL3MBTL1ALDH1A1BRD4TSHR
SCHEMBL12966991 0.89 HTT (0.38) KDM4EALDH1A1HDAC6NPC1RAB9A
SCHEMBL12964816 0.78 — —
SCHEMBL12967265 0.76 HDAC6 (0.39) KDM4EL3MBTL1NAAACASP1ALDH1A1
SCHEMBL1499693 0.68 HDAC3 (0.46) KDM4EALDH1A1HDAC6SMN1; SMN2HDAC3
SCHEMBL1499689 0.68 HDAC3 (0.46) KDM4EALDH1A1HDAC6SMN1; SMN2HDAC3
SCHEMBL1499432 0.65 HDAC6 (0.41) KDM4EALDH1A1HDAC6RAB9ASMN1; SMN2
SCHEMBL1499435 0.65 HDAC6 (0.41) KDM4EALDH1A1HDAC6RAB9ASMN1; SMN2
SCHEMBL12966950 0.65 SNCA (0.48) BRD4NAMPTHDAC6NPC1RAB9A
SCHEMBL12967415 0.65 IGF1R (0.41) KDM4EALDH1A1HDAC6SMN1; SMN2HDAC3

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-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 — — WO disclosed
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