SCHEMBL7974594

SCHEMBL7974594

O=C(O)C(=O)Nc1cc(Nc2cccnc2)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.56
SORT1 Q99523 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.48
PTPN1 P18031 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
NAMPT P43490 2/20 0.43
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 1/20 0.41
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7984836 0.76 NPC1 (0.50) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL6630167 0.75 RAB9A (0.79) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL28741286 0.75 FABP4 (0.65) GRIK1RAB9ANPC1PKMMEN1
SCHEMBL21056874 0.75 KDM4C (0.59) GRIK1RAB9ANPC1PKMKDM4E
SCHEMBL29110322 0.75 GRIK1 (0.74) GRIK1SORT1RAB9AMEN1KMT2A
SCHEMBL30611270 0.75 GRIK1 (0.74) GRIK1SORT1RAB9AMEN1KMT2A
SCHEMBL7991807 0.73 KDM4C (0.64) PTPN1MEN1KMT2AMAPTKDM4E
SCHEMBL27906016 0.71 NAMPT (0.58) RAB9ANPC1PKMLMNANAMPT
SCHEMBL28472949 0.71 AKR1C3 (0.64) MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22441333 0.70 NAMPT (0.56) RAB9ANPC1PKMLMNAATM

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