SCHEMBL3236592

SCHEMBL3236592

COC(=O)c1ccc(N)c(NC(=O)CCCCCC(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.59
▸ HDAC3 O15379 12/20 0.59
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPK1 P28482 2/20 0.53
▸ HDAC2 Q92769 5/20 0.52
▸ HDAC6 Q9UBN7 4/20 0.52
▸ HDAC10 Q969S8 3/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HDAC4 P56524 3/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL3235057 0.91 HDAC3 (0.59) HDAC1HDAC3MEN1KMT2AMAPK1
SCHEMBL3238234 0.85 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL3233788 0.81 HDAC1 (0.69) HDAC1HDAC3MEN1KMT2AHDAC2
SCHEMBL25351587 0.79 HDAC1 (0.56) HDAC1MEN1KMT2AMAPK1NPC1
SCHEMBL3232140 0.78 HDAC1 (0.84) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL7927022 0.78 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL3234137 0.78 HDAC3 (0.70) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL3235344 0.75 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC6HDAC10
SCHEMBL20164199 0.75 HDAC1 (0.52) HDAC1HDAC3MAPTHTTERAP2
SCHEMBL1206765 0.75 HDAC3 (0.53) HDAC1HDAC3HDAC2MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 — — WO claimed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 — — WO disclosed
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