SCHEMBL7974577

SCHEMBL7974577

O=C(O)C(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.55
GRIK1 P39086 1/20 0.54
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 3/20 0.51
MPO P05164 1/20 0.51
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46

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
SCHEMBL7846339 0.88 MAPT (0.68) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL10542066 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL5156571 0.84 SMN1; SMN2 (0.67) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL2031092 0.83 KCNK2 (0.64) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL3694733 0.81 MAPT (0.77) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL9681603 0.81 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL12703765 0.81 KMT2A (0.61) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL8553107 0.81 GRIK1 (0.60) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL14574207 0.81 MAPT (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL1663739 0.81 MAPT (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT

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-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed