SCHEMBL7846339

SCHEMBL7846339

O=C(O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
CTSV O60911 2/20 0.62
CTSL P07711 2/20 0.62
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.58
GAA P10253 1/20 0.58
PTPN1 P18031 4/20 0.58
PTPRC P08575 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPRA P18433 1/20 0.58
PTPRB P23467 1/20 0.58
PTPRE P23469 1/20 0.58
PTPN6 P29350 1/20 0.58
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
KCNK2 O95069 1/20 0.55

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
SCHEMBL4360014 0.88 PKM (0.57) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL4360020 0.88 PKM (0.57) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL7974577 0.88 ALDH1A1 (0.55) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL11870435 0.87 MAPT (0.71) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL3279807 0.84 MAPT (0.72) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL6625749 0.82 MAPT (0.73) MAPTCTSVCTSLAKR1C4AKR1C3
Hydrochloric Acid SCHEMBL15054415 0.81 MAPT (0.71) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL1531297 0.81 MAPT (1.00) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL11590782 0.80 AKR1B1 (0.68) MAPTCTSVCTSLAKR1C4AKR1C3
SCHEMBL16248141 0.78 MAPT (0.68) MAPTCTSVCTSLAKR1C4AKR1C3

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
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-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP 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
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed