SCHEMBL12967265

SCHEMBL12967265

CCNCCCNC(=O)c1ccc(Nc2cccc(/C=C/c3ccncc3)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NAAA Q02083 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ TP53BP1 Q12888 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CSNK2A3 Q8NEV1 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ KDM1A O60341 1/20 0.35

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
SCHEMBL1499435 0.88 HDAC6 (0.41) HDAC6KMT2AMEN1AGTR1RAB9A
SCHEMBL1499432 0.88 HDAC6 (0.41) HDAC6KMT2AMEN1AGTR1RAB9A
SCHEMBL12966950 0.88 SNCA (0.48) HDAC6KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL12766948 0.85 NAMPT (0.40) HDAC6KMT2AMEN1AGTR1RAB9A
SCHEMBL12964620 0.79 MAPT (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1499537 0.78 NAMPT (0.40) KMT2AMEN1AGTR1RAB9ASMN1; SMN2
SCHEMBL1499538 0.78 NAMPT (0.40) KMT2AMEN1AGTR1RAB9ASMN1; SMN2
SCHEMBL1499689 0.78 HDAC3 (0.46) HDAC6KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1499693 0.78 HDAC3 (0.46) HDAC6KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12967273 0.76 KDM4E (0.33) HDAC6RAB9AALDH1A1KDM4EL3MBTL1

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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