SCHEMBL18670967

SCHEMBL18670967

CN(C)c1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2N)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.82
▸ HDAC3 O15379 7/20 0.65
▸ HDAC2 Q92769 7/20 0.65

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
SCHEMBL4581935 0.90 HDAC1 (0.79) HDAC1HDAC3HDAC2
SCHEMBL4578711 0.87 HDAC1 (0.84) HDAC1HDAC3HDAC2
SCHEMBL4579434 0.86 HDAC1 (0.70) HDAC1HDAC3HDAC2
SCHEMBL4580198 0.86 HDAC1 (0.82) HDAC1HDAC3HDAC2
SCHEMBL4579545 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC2
SCHEMBL18670954 0.86 HDAC1 (0.77) HDAC1HDAC3HDAC2
SCHEMBL18653511 0.86 HDAC2 (0.75) HDAC1HDAC3HDAC2
SCHEMBL18670977 0.84 HDAC1 (0.65) HDAC1HDAC3HDAC2
SCHEMBL2137319 0.84 HDAC1 (0.76) HDAC1HDAC3HDAC2
SCHEMBL1065833 0.84 ABCB1 (0.73) HDAC1HDAC3HDAC2

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
US-9603950-B1 Compounds of imaging agent with HDAC inhibitor for treatment of Alzheimer syndrome and method of synthesis thereof INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2017-03-28 — — US disclosed
US-9603950-B1 Compounds of imaging agent with HDAC inhibitor for treatment of Alzheimer syndrome and method of synthesis thereof INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2017-03-28 — — US disclosed
Send feedback