SCHEMBL3402095

SCHEMBL3402095

Cc1nc(-c2ccc(Cl)c(F)c2)sc1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
HRH3 Q9Y5N1 4/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR2C P28335 1/20 0.44
CNR1 P21554 1/20 0.44
LRRK2 Q5S007 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL3 Q96JM7 4/20 0.43
LMNA P02545 1/20 0.43
MET P08581 2/20 0.43
CCR3 P51677 1/20 0.43
OXTR P30559 1/20 0.42
MBTD1 Q05BQ5 2/20 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
SCHEMBL3402165 1.00 THRA (0.50) THRATHRBHRH3MEN1KMT2A
SCHEMBL3399760 0.93 HRH3 (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3399445 0.93 HRH3 (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3399702 0.91 THRA (0.47) THRATHRBHRH3HTR2CCNR1
SCHEMBL3400277 0.91 THRA (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3398363 0.91 THRA (0.52) THRATHRBHRH3HTR2CCNR1
SCHEMBL3399934 0.91 THRA (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3402620 0.90 THRA (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3399868 0.90 THRA (0.52) THRATHRBHRH3MEN1KMT2A
SCHEMBL3404745 0.90 THRA (0.52) THRATHRBHRH3MEN1KMT2A

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