SCHEMBL11078859

SCHEMBL11078859

CC(NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ KCNK9 Q9NPC2 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ KCNK3 O14649 2/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ POLB P06746 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL11075282 0.90 PTPN1 (0.57) HDAC2HDAC8HDAC6KCNK9NPC1
SCHEMBL11081421 0.88 NPSR1 (0.53) HDAC8HDAC6KMT2A
SCHEMBL11083219 0.88 NT5E (0.60) KCNK9NPC1RAB9ALMNAKCNK3
SCHEMBL13702145 0.85 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6KCNK9
SCHEMBL11079972 0.84 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL13314540 0.83 ALDH1A1 (0.51) HDAC1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8374911 0.81 HDAC1 (0.85) HDAC1HDAC2HDAC8HDAC6KCNK9
SCHEMBL11083276 0.81 ALDH1A1 (0.57) SMN1; SMN2LMNAKMT2AMEN1POLB
SCHEMBL13701743 0.79 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6KCNK9
SCHEMBL14715821 0.78 KCNK3 (0.85) HDAC1HDAC2HDAC8HDAC6KCNK9

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-0119428-A2 Biscarboxamides for treating diseases, and process for their preparation BAYER AG (DE) 1984-09-26 — — EP disclosed
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