SCHEMBL250798

SCHEMBL250798

N#Cc1ccc(N2CCSC(=O)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
GRM2 Q14416 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
AOC3 Q16853 2/20 0.35
HTR7 P34969 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
PGR P06401 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL7422542 0.70 POLB (0.49) KDM4ETP53POLBELANECTSG
SCHEMBL2713004 0.69 KDM4E (0.49) KDM4ETP53POLBELANECTSG
SCHEMBL16789935 0.69 KDM4E (0.52) KDM4ETP53POLBELANECHRNA10
SCHEMBL249145 0.68 METAP2 (0.42) POLB
SCHEMBL27529652 0.68 KDM4E (0.43) KDM4ETP53POLBELANECTSG
SCHEMBL7421728 0.68 ALDH1A1 (0.57) TP53POLBNPC1RAB9A
SCHEMBL23299517 0.67 GRM2 (0.43) KDM4ETP53POLBELANECTSG
SCHEMBL7406708 0.67 HTR1A (0.49) KDM4ETP53POLBELANECTSG
SCHEMBL4586702 0.67 ALDH1A1 (0.51) KDM4ETP53POLB
SCHEMBL20639714 0.66 SLC6A2 (0.47) KDM4ETP53POLBELANECTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed