SCHEMBL4472021

SCHEMBL4472021

N=C(NO)NC(=O)COCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
FOLH1 Q04609 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 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
SCHEMBL4978322 0.90 TSHR (0.35) TSHRPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL4488898 0.79 KDM4E (0.34) TSHRKDM4EKDM6BKDM5CFOLH1
SCHEMBL11406963 0.78 FOLH1 (0.46) TSHRKDM4EKDM6BKDM5CFOLH1
SCHEMBL4467707 0.78 TSHR (0.36) TSHRPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL4977502 0.76 TSHR (0.37) TSHRPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL4478714 0.76 ALDH1A1 (0.33) TSHRKDM4EKDM6BKDM5CFOLH1
SCHEMBL4472825 0.72 TSHR (0.39) TSHRPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL4977113 0.72 TSHR (0.35) TSHRKDM4EPOLBALDH1A1KMT2A
SCHEMBL4976213 0.72 PHF8 (0.58) KDM4EKDM6BKDM5CFOLH1EGLN1
SCHEMBL4479756 0.71 TAS2R38 (0.39) TSHRPOLBALDH1A1KMT2AL3MBTL1

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
US-7608724-B2 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-[(aminocarbonothioyl)amino]-4-oxobutanoate;potententiation; anaerobic/ aerobic microoraganisms; grampositive,gramnegative bacteria; Campylobacter; respiratory system disorders; paraciticides; nontoxic; enzymers/hydrolases/;enzyme inhibitors EMS S.A. (BR) 2009-10-27 US claimed
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP claimed