SCHEMBL9004262

SCHEMBL9004262

CCCN1C(=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.57
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
HDAC4 P56524 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57
TUBB3 Q13509 3/20 0.57
HDAC1 Q13547 3/20 0.57
TUBB2A Q13885 3/20 0.57
TUBB8 Q3ZCM7 3/20 0.57
TUBA3E Q6PEY2 3/20 0.57
TUBA1A Q71U36 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
TUBA1C Q9BQE3 3/20 0.57
TUBB6 Q9BUF5 3/20 0.57

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
SCHEMBL8401275 0.87 HDAC3 (0.53) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL23835579 0.85 CHRM2 (0.50) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL1366285 0.84 HDAC3 (0.61) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL29759083 0.83 SIGMAR1 (0.50) HDAC3HDAC6ADRA2AALDH1A1MAPK1
SCHEMBL7696530 0.83 SIGMAR1 (0.50) HDAC3HDAC6ADRA2AALDH1A1MAPK1
SCHEMBL9004265 0.83 HDAC3 (0.40) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL9212981 0.82 TP53 (0.58) MEN1KMT2AMAPTLMNA
SCHEMBL19297268 0.81 ALDH1A1 (0.62) CHRM2HTR1AADRA2ADRD1SLC6A4
SCHEMBL12386483 0.81 HDAC3 (0.56) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL5244107 0.80 HDAC3 (0.52) HDAC3TUBB4ATUBBTUBA3CHDAC4

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
US-5571806-A Dibenz[b,f][1,4]oxazepin(and thiazepin)-11(10H)-ones and-thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-11-05 US disclosed
EP-0419861-B1 Use of dibenz[b,f][1,4]oxazepin (and thiazepin)-11(10H)-ones and -thiones in the preparation of a pharmaceutical composition for the prevention or treatment of aids BOEHRINGER INGELHEIM PHARMA (US) 1995-11-02 EP disclosed
EP-0419861-A2 Use of dibenz[b,f][1,4]oxazepin (and thiazepin)-11(10H)-ones and -thiones in the preparation of a pharmaceutical composition for the prevention or treatment of aids BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-04-03 EP disclosed