SCHEMBL20004079

SCHEMBL20004079

C/C=C(\C)CCNC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.34
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
ECE1 P42892 1/20 0.31
ATM Q13315 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
TSHR P16473 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL6894584 0.77
SCHEMBL11572522 0.75
SCHEMBL17425873 0.74 ALDH1A1 (0.54)
SCHEMBL5074290 0.71
SCHEMBL7207658 0.71
SCHEMBL3606097 0.71
SCHEMBL501649 0.71
SCHEMBL3616414 0.71
SCHEMBL3454057 0.71
SCHEMBL9815905 0.71

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
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed
EP-2950819-B1 INTRADERMAL DELIVERY OF IMMUNOLOGICAL COMPOSITIONS COMPRISING TOLL-LIKE RECEPTOR AGONISTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-03-28 EP disclosed