SCHEMBL7455016

SCHEMBL7455016

Clc1ccc(-c2nc(-n3cccn3)oc2CCC2=NCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4B Q07343 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SLC2A1 P11166 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL7467327 0.83 KDM4E (0.40) KDM4EALDH1A1PDE4B
SCHEMBL7459313 0.81 NOTUM (0.37) NOTUMGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL1361686 0.80 NOTUM (0.40) NOTUMGAAKDM4EALDH1A1GLA
SCHEMBL7453563 0.79 MAPKAPK2 (0.32)
SCHEMBL7468386 0.78 RXRA (0.48) NOTUMKDM4EALDH1A1CYP3A4MAPT
SCHEMBL7459869 0.78 MAPT (0.36) ALDH1A1SMN1; SMN2MAPT
SCHEMBL7456516 0.75 MAPKAPK2 (0.30)
SCHEMBL1361404 0.73 L3MBTL1 (0.36) NOTUMGAAALDH1A1CYP1A2CYP3A4
SCHEMBL7458187 0.71 L3MBTL1 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL8307319 0.69

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-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed