SCHEMBL3376460

SCHEMBL3376460

O=C(O)CNC(=O)CNCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
EGLN1 Q9GZT9 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
FAAH O00519 5/20 0.37
PTPN1 P18031 1/20 0.36
CTH P32929 1/20 0.36
APEX1 P27695 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL654422 0.80
SCHEMBL2807522 0.77 EGLN1 (0.46) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL4786380 0.77 ALDH1A1 (0.48) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL5519639 0.77 ALDH1A1 (0.48) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL17177758 0.76 EGLN1 (0.41) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL1965772 0.76
SCHEMBL10067714 0.76 EGLN1 (0.41) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL6471153 0.75 LDHA (0.47) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL22145761 0.74 ALDH1A1 (0.39) ALDH1A1EGLN1ITGB1ITGA5MAPT
SCHEMBL9094845 0.74 ALDH1A1 (0.39) ALDH1A1EGLN1ITGB1ITGA5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed