SCHEMBL13565254

SCHEMBL13565254

Cc1c(N2CC(C)OC(C)C2)ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
ADRB3 P13945 2/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 4/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
BRD4 O60885 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
BRDT Q58F21 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
SCHEMBL17090455 1.00 KDM4E (0.36) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL13113663 0.92 KDM4E (0.37) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL13105264 0.92 KDM4E (0.37) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL17090554 0.91 KDM4E (0.40) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL13566082 0.91 KDM4E (0.40) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL17090454 0.89 KDM4E (0.35) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL13565281 0.89 KDM4E (0.35) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL11936079 0.87 KDM4E (0.36) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL11940826 0.87 KDM4E (0.36) KDM4ELMNAKMT2AL3MBTL1CRHBP
SCHEMBL17090447 0.86 KMT2A (0.38) KDM4ELMNAKMT2AL3MBTL1CRHBP

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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed