SCHEMBL3405260

SCHEMBL3405260

Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CHRM4 P08173 3/20 0.47
MAPT P10636 6/20 0.47
RAD52 P43351 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
STAT1 P42224 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMYD2 Q9NRG4 1/20 0.44
ADRA1A P35348 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44
KCNH2 Q12809 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
SCHEMBL3405465 0.97 CHRM4 (0.47) GAACHRM4MAPTRAD52TP53
SCHEMBL3400096 0.94 CHRM4 (0.49) GAACHRM4MAPTTP53HPGD
SCHEMBL3400929 0.93 SCN9A (0.49) GAACHRM4MAPTTP53HPGD
SCHEMBL3402105 0.92 CHRM4 (0.47) GAACHRM4MAPTRAD52TP53
SCHEMBL3402417 0.92 CHRM4 (0.49) GAACHRM4MAPTRAD52TP53
SCHEMBL3400517 0.90 GAA (0.47) GAACHRM4MAPTRAD52TP53
SCHEMBL3403817 0.89 CHRM4 (0.49) GAACHRM4MAPTRAD52TP53
SCHEMBL3401053 0.89 CHRM4 (0.47) GAACHRM4MAPTRAD52TP53
SCHEMBL3402142 0.87 CD274 (0.48) MAPTLMNAADRA1ATHRB
SCHEMBL3399475 0.85 CHRM4 (0.51) GAACHRM4MAPTRAD52TP53

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