SCHEMBL13284331

SCHEMBL13284331

C=C(NCC(=O)O)c1cc2ccccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.53
KDM4C Q9H3R0 1/20 0.46
FTO Q9C0B1 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
EGFR P00533 2/20 0.44
USP30 Q70CQ3 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
PTPN7 P35236 1/20 0.41

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
SCHEMBL1208104 0.86 EGLN1 (0.62) EGLN1KDM4CFTOEGLN3EGFR
SCHEMBL7140246 0.78 EGLN1 (0.58) EGLN1EGFRUSP30HTR1AHTR2A
SCHEMBL14875993 0.76 EGLN1 (0.57) EGLN1EGFRUSP30HTR1AHTR2A
SCHEMBL5926434 0.75 EGLN1 (0.67) EGLN1EGFRHTR1AHTR2ADRD3
SCHEMBL29746814 0.75 EGLN1 (0.54) EGLN1KDM4CFTOEGLN3EGFR
SCHEMBL29489052 0.75 EGLN1 (0.54) EGLN1KDM4CFTOEGLN3EGFR
SCHEMBL12256868 0.75 CYP1A2 (0.47) EGLN1EGFRHTR1AHTR2ADRD3
SCHEMBL155043 0.75 EGLN1 (0.54) EGLN1KDM4CFTOEGLN3EGFR
SCHEMBL4076740 0.74 EGLN1 (0.44) EGLN1KDM4CFTOEGLN3PTPN7
SCHEMBL23997538 0.73 EGLN1 (0.76) EGLN1EGFRUSP30HTR1AHTR2A

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
WO-2010083384-A2 NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-07-22 WO disclosed