SCHEMBL7984836

SCHEMBL7984836

O=C(O)C(=O)Nc1cccc(Nc2cccnc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 3/20 0.45
NAMPT P43490 3/20 0.44
GPR35 Q9HC97 2/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
KCNK3 O14649 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL11835239 0.79 GPR35 (0.64) NPC1RAB9AGPR35
SCHEMBL6630167 0.77 RAB9A (0.79) NPC1RAB9APKMLMNANAMPT
SCHEMBL7974594 0.76 GRIK1 (0.56) NPC1RAB9APKMLMNANAMPT
SCHEMBL28741286 0.74 FABP4 (0.65) NPC1RAB9APKMNAMPTALDH1A1
SCHEMBL21056874 0.71 KDM4C (0.59) NPC1RAB9APKMKDM4E
SCHEMBL20062968 0.70 KMT2A (0.55) NPC1RAB9APKMNAMPTHTT
SCHEMBL7988900 0.70 GPR35 (0.56) NPC1RAB9APKMGPR35MEN1
SCHEMBL30504811 0.69 RAB9A (0.89) NPC1RAB9APKMLMNANAMPT
SCHEMBL7974559 0.68 KDM4E (0.57) NPC1RAB9ALMNAGPR35HTT
SCHEMBL7988973 0.68 GPR35 (0.65) GPR35ALDH1A1MEN1KMT2A

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