SCHEMBL4038982

SCHEMBL4038982

CN1CCN(CC2(c3ccc(C(=O)NCCOc4ccc(C(=O)NO)cc4)cc3)NC=CS2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
NPC1 O15118 6/20 0.44
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.38
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL446161 0.74 MAPT (0.62) HDAC6HDAC2HDAC8NPC1GAA
SCHEMBL444535 0.70 HDAC6 (0.51) HDAC6HDAC2HDAC8NPC1GAA
SCHEMBL11754722 0.69 HDAC2 (0.59) HDAC6HDAC2HDAC8NPC1TP53
SCHEMBL443202 0.68 HDAC6 (0.47) HDAC6HDAC2HDAC8NPC1TP53
SCHEMBL4254124 0.67 MAPT (0.58) HDAC6HDAC2HDAC8NPC1GAA
SCHEMBL443363 0.66 NPC1 (0.79) HDAC6HDAC2HDAC8NPC1RAB9A
SCHEMBL443261 0.66 HDAC6 (0.69) HDAC6HDAC2HDAC8GAAL3MBTL1
SCHEMBL447184 0.66 NPC1 (0.78) HDAC6HDAC8NPC1TP53L3MBTL1
SCHEMBL4254200 0.64 HDAC6 (0.43) HDAC6HDAC2HDAC8NPC1TP53
SCHEMBL445695 0.64 NPC1 (0.74) NPC1L3MBTL1RAB9APOLBCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed