SCHEMBL3405828

SCHEMBL3405828

COc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
HRH3 Q9Y5N1 5/20 0.47
L3MBTL3 Q96JM7 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
HTR2C P28335 2/20 0.44
CNR1 P21554 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OXTR P30559 1/20 0.42
MBTD1 Q05BQ5 3/20 0.42

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
SCHEMBL3406014 1.00 THRA (0.50) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3404347 0.93 THRA (0.51) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3401404 0.93 THRA (0.51) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3405038 0.91 RAB9A (0.47) THRATHRBHRH3CNR1LMNA
SCHEMBL3396967 0.91 THRA (0.49) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3405541 0.91 THRA (0.49) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3404772 0.90 THRA (0.47) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3403558 0.89 THRA (0.54) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3404539 0.89 THRA (0.54) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3405192 0.88 THRA (0.51) THRATHRBHRH3L3MBTL3L3MBTL1

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed