SCHEMBL9835503

SCHEMBL9835503

COc1cc(NC(C)=O)c(NC(C)=O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 2/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
GAA P10253 1/20 0.48
HSD17B10 Q99714 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
RCE1 Q9Y256 1/20 0.48
GFER P55789 1/20 0.47
AGER Q15109 1/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL8186768 0.92 LCK (0.53) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL28497410 0.89 KDM4E (0.51) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL28649961 0.88 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL133355 0.87 AGER (0.58) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL27746032 0.87 MEN1 (0.49) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL11688574 0.87 MEN1 (0.49) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL8541790 0.86 KDM4E (0.65) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL11593017 0.86 MEN1 (0.58) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL11384615 0.85 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL10956969 0.83 KDM4E (0.51) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 EP claimed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US claimed
CN-112079741-A Aminobenzoic acid derivative and preparation method and application thereof 武汉化工新材料工业技术研究院有限责任公司 2020-12-15 CN disclosed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US disclosed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US disclosed