SCHEMBL8868580

SCHEMBL8868580

C=CCOC(=O)NCC(=N)NO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CASP1 P29466 7/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.32
LIG1 P18858 1/20 0.31
ERN1 O75460 2/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL4680857 0.77 CASP1 (0.45) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL248893 0.77
SCHEMBL890269 0.76
SCHEMBL9547102 0.76 TSHR (0.37) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL4684975 0.76 MEN1 (0.41) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL9129459 0.76 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL10790638 0.76 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL20793437 0.76 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL9547232 0.76 MAPT (0.46) MEN1KMT2AMAPTCACNA1BAPBA1
SCHEMBL19672930 0.76 MEN1 (0.38) MEN1KMT2AMAPTCACNA1BAPBA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 EP disclosed