SCHEMBL9867672

SCHEMBL9867672

CCC(C)(C#N)NC(=O)C(=O)NN

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7214346 0.76 PKM (0.33) KDM4EHTTL3MBTL1
SCHEMBL15663547 0.76 ALDH1A1 (0.32) HTTL3MBTL1
SCHEMBL9868678 0.74 EPHX1 (0.40) KDM4EL3MBTL1
SCHEMBL11564301 0.73 NPC1 (0.34) KDM4E
SCHEMBL27941711 0.71
SCHEMBL17228791 0.70 CTSK (0.43)
SCHEMBL7768332 0.69 ALDH1A1 (0.46) KDM4EL3MBTL1
SCHEMBL9500903 0.68 KDM4E (0.39) KDM4EHTT
SCHEMBL9806570 0.65 TSHR (0.32)
SCHEMBL9867432 0.64 KDM4E (0.31) KDM4E

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-5051517-A Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed