SCHEMBL5271480

SCHEMBL5271480

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)c2ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.61
▸ HDAC6 Q9UBN7 5/20 0.61
▸ BRD4 O60885 3/20 0.51
▸ BACE1 P56817 4/20 0.41
▸ HDAC8 Q9BY41 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL19225201 0.87 HDAC1 (0.77) HDAC1HDAC6BRD4HDAC8KDM1A
SCHEMBL31620872 0.86 HDAC1 (0.62) HDAC1HDAC6BRD4
SCHEMBL20572179 0.84 NPC1 (0.49) HDAC1HDAC6BACE1KDM1A
SCHEMBL31620916 0.81 HDAC1 (0.62) HDAC1HDAC6BRD4BCHEHTR6
SCHEMBL7441606 0.80 HDAC1 (0.52) HDAC1HDAC6BRD4BCHEHTR6
SCHEMBL30673916 0.80 HDAC1 (0.67) HDAC1HDAC6BRD4KDM1A
SCHEMBL26092309 0.80 HDAC1 (0.67) HDAC1HDAC6BRD4KDM1A
SCHEMBL30910107 0.80 HDAC1 (0.67) HDAC1HDAC6BRD4KDM1A
SCHEMBL30910116 0.79 HDAC1 (0.76) HDAC1HDAC6BRD4HDAC8KDM1A
SCHEMBL26089401 0.79 HDAC1 (0.76) HDAC1HDAC6BRD4HDAC8KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056728-B1 DIHYDRO-BENZO(1,4)OXAZINES AND TETRAHYDROQUINOXALINES AVENTIS PHARMA LTD (GB) 2007-11-21 — — EP disclosed
US-6632814-B1 Dihydro-benzo(1,4)oxazines AVENTIS PHARMA LTD. (GB) 2003-10-14 — — US disclosed
EP-1056728-A1 DIHYDRO-BENZO(1,4)OXAZINES AND TETRAHYDROQUINOXALINES Aventis Pharma Limited (GB) 2000-12-06 — — EP disclosed
WO-2000039103-A1 DIHYDRO-BENZO(1,4)OXAZINES AND TETRAHYDROQUINOXALINES AVENTIS PHARMA LIMITED (GB) 2000-07-06 — — WO disclosed
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