SCHEMBL6896032

SCHEMBL6896032

CCCC[Sn](CCCC)(CCCC)c1cn2cnc(CC(Cc3ccc([N+](=O)[O-])cc3)=NO)c2s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ACHE P22303 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL6896027 0.79 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1L3MBTL1KCNH2
SCHEMBL6893539 0.78 L3MBTL1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL6896021 0.77 MEN1 (0.33) KMT2AMEN1ALDH1A1KCNH2SMN1; SMN2
SCHEMBL6890916 0.75 HDAC3 (0.39) KMT2AMEN1ALDH1A1L3MBTL1KCNH2
SCHEMBL6890913 0.75 HDAC3 (0.39) KMT2AMEN1ALDH1A1L3MBTL1KCNH2
SCHEMBL6897134 0.74 CA1 (0.39) KMT2AMEN1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6895016 0.72 L3MBTL1 (0.36) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL7629783 0.72
SCHEMBL7118650 0.71 L3MBTL1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6624714 0.71 DPP8 (0.38) KMT2AMEN1ALDH1A1L3MBTL1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed