SCHEMBL27614977

SCHEMBL27614977

O=C(O)NCCCCNC(=O)NS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
EPHX1 P07099 8/20 0.43
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ADRA1A P35348 1/20 0.34
EPHX2 P34913 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL15328342 0.95 PRMT1 (0.41) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL18886309 0.82 PRMT1 (0.58) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL3174690 0.82 KDM4E (0.50) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL27615006 0.79 EPHX1 (0.71) EPHX1SMN1; SMN2ALDH1A1EPHX2HTT
SCHEMBL2029681 0.79 KDM4E (0.55) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL28569684 0.79 KDM4E (0.55) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL453216 0.79 KDM4E (0.55) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL20836564 0.79 KDM4E (0.55) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL30541972 0.79 KDM4E (0.55) PRMT1EPHX1KDM4EMAPK1HIF1A
SCHEMBL5569558 0.79 KDM4E (0.55) PRMT1EPHX1KDM4EMAPK1HIF1A

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
CN-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed