SCHEMBL6218409

SCHEMBL6218409

CC(=O)Oc1cn(-c2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
KMT2A Q03164 3/20 0.46
PTGS2 P35354 5/20 0.43
PTGS1 P23219 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA1 P30542 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALKBH1 Q13686 1/20 0.40
MAOB P27338 3/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL6218172 0.84 PTPN1 (0.50) PTPN1PTGS2PTGS1ALDH1A1HPGD
SCHEMBL6218960 0.82 PTPN1 (0.48) PTPN1PTGS2PTGS1ALDH1A1HPGD
SCHEMBL5395054 0.81 ALDH1A1 (0.51) KMT2APTGS2PTGS1ALDH1A1HPGD
SCHEMBL4296500 0.79 ALKBH1 (0.52) KMT2APTGS2PTGS1ALDH1A1HPGD
SCHEMBL6216202 0.76 KMT2A (0.47) KMT2APTGS2PTGS1ALDH1A1HPGD
SCHEMBL1195916 0.76 NPC1 (0.47) KMT2APTGS2PTGS1ALDH1A1HPGD
SCHEMBL6218321 0.76 PTPN1 (0.43) PTPN1KMT2AALDH1A1MEN1
SCHEMBL5406901 0.76 KDM4E (0.57) KMT2APTGS2PTGS1ALDH1A1HPGD
SCHEMBL720149 0.75 NPSR1 (0.58) KMT2AALDH1A1HPGDNPSR1MEN1
SCHEMBL4847074 0.74 ALDH1A1 (0.54) KMT2APTGS2PTGS1ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed