SCHEMBL3402620

SCHEMBL3402620

Cc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
L3MBTL1 Q9Y468 6/20 0.46
L3MBTL3 Q96JM7 6/20 0.46
HRH3 Q9Y5N1 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR2C P28335 2/20 0.45
CNR1 P21554 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
MBTD1 Q05BQ5 3/20 0.44
OXTR P30559 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL3399868 1.00 THRA (0.52) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3400277 0.93 THRA (0.52) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3399934 0.93 THRA (0.52) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3401293 0.92 THRA (0.52) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3404745 0.92 THRA (0.52) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3405608 0.91 THRA (0.48) THRATHRBHRH3MEN1KMT2A
SCHEMBL3403558 0.91 THRA (0.54) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3404539 0.91 THRA (0.54) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3402095 0.90 THRA (0.50) THRATHRBL3MBTL1L3MBTL3HRH3
SCHEMBL3402165 0.90 THRA (0.50) THRATHRBL3MBTL1L3MBTL3HRH3

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
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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed