SCHEMBL9835504

SCHEMBL9835504

COc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
GALR2 O43603 1/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
XBP1 P17861 1/20 0.50
CCR6 P51684 1/20 0.50
MAPT P10636 5/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CDK2 P24941 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9835516 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL11951437 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL1727258 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL27687932 0.89 NPSR1 (0.50) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL28550137 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL9867338 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL9396485 0.87 MAPT (0.52) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL1724987 0.86 HCAR3 (0.52) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL28489151 0.85 NPSR1 (0.47) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2
SCHEMBL1511509 0.84 MAPT (0.49) ALDH1A1SMN1; SMN2NPSR1HPGDGALR2

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 7 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
EP-0190524-A1 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) 1986-08-13 EP 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-5026858-A Used for treating nausea, vomating, gastrointestinal disorders and centarl nervous system WALTON S.A. (ES) 1991-06-25 US disclosed
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 disclosed
EP-0190524-A1 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) 1986-08-13 EP disclosed
US-4039672-A EMESIS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1977-08-02 US disclosed