SCHEMBL9867654

SCHEMBL9867654

NNC(=O)C(=O)NCCF

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL4014878 0.77
SCHEMBL9866601 0.75 CTSD (0.48) KDM4ELMNAALDH1A1GAA
SCHEMBL9867939 0.75 LMNA (0.42) KDM4ELMNACYP1A2TSHRNFKB1
SCHEMBL27536224 0.73 KDM4E (0.38) KDM4ELMNA
SCHEMBL9868852 0.71 EPHX1 (0.50) KDM4ELMNA
SCHEMBL301095 0.71
SCHEMBL3281043 0.70
SCHEMBL9867407 0.70 KDM4E (0.39) KDM4ELMNA
SCHEMBL2321087 0.70 EPHX1 (0.56) KDM4ELMNA
SCHEMBL9868278 0.70 ANPEP (0.56) KDM4ELMNAGAAMAPK1

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