SCHEMBL3261607

SCHEMBL3261607

Cc1cnc(NC(=O)CCCCCC(=O)Nc2cc(F)ccc2N)s1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.54
HDAC1 Q13547 3/20 0.54

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
SCHEMBL7937288 0.85 HDAC3 (0.53) HDAC3HDAC1
SCHEMBL7931685 0.84 HDAC3 (0.71) HDAC3HDAC1
SCHEMBL7935556 0.81
SCHEMBL3240756 0.80 HDAC3 (0.59) HDAC3HDAC1
SCHEMBL3233788 0.77 HDAC1 (0.69) HDAC3HDAC1
SCHEMBL3234083 0.77 HDAC1 (0.53) HDAC3HDAC1
SCHEMBL3238234 0.76 HDAC1 (0.70) HDAC3HDAC1
SCHEMBL7924409 0.76 RAB9A (0.56)
SCHEMBL21533552 0.75
SCHEMBL10253052 0.74 SMN1; SMN2 (0.65)

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