SCHEMBL7459869

SCHEMBL7459869

CCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCC2=NCCO2)o1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7453563 0.88 MAPKAPK2 (0.32) KCNH2
SCHEMBL7456516 0.83 MAPKAPK2 (0.30)
SCHEMBL7453572 0.80 RXRA (0.43) MAPTALDH1A1
SCHEMBL7455016 0.78 NOTUM (0.37) MAPTALDH1A1SMN1; SMN2
SCHEMBL7459313 0.78 NOTUM (0.37) MAPTALDH1A1SMN1; SMN2
SCHEMBL1363270 0.76 TP53 (0.40) MAPTSMN1; SMN2
SCHEMBL1362811 0.76 GCGR (0.35) MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7467327 0.73 KDM4E (0.40) ALDH1A1
SCHEMBL7462798 0.73 RXRA (0.42) MAPTALDH1A1SMN1; SMN2
SCHEMBL7463506 0.72 MAPKAPK2 (0.31)

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
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