SCHEMBL3399569

SCHEMBL3399569

Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
MAPT P10636 5/20 0.48
RAD52 P43351 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
STAT1 P42224 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CHRM4 P08173 1/20 0.47
CACNA1G O43497 2/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL3403541 0.97 DPP4 (0.48) MAPK1DPP4DPP8MAPTRAD52
SCHEMBL3401355 0.94 DPP4 (0.54) DPP4DPP8MAPTKDM4EALDH1A1
SCHEMBL3400943 0.93 DPP4 (0.56) DPP4DPP8MAPTKDM4EALDH1A1
SCHEMBL3404779 0.92 MAPK1 (0.49) MAPK1MAPTRAD52KDM4ELMNA
SCHEMBL3402107 0.90 DRD2 (0.47) MAPK1MAPTRAD52KDM4ELMNA
SCHEMBL3402982 0.88 SMYD2 (0.53) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL3400482 0.88 DRD2 (0.46) MAPK1DPP4DPP8MAPTRAD52
SCHEMBL3401783 0.87 CACNA1G (0.53) MAPTLMNATP53CACNA1G
SCHEMBL3398247 0.86 ALDH1A1 (0.48) DPP4DPP8ALDH1A1NPSR1GAA
SCHEMBL3403787 0.85 SMYD2 (0.50) MAPTLMNAALDH1A1KMT2AGAA

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