SCHEMBL7453563

SCHEMBL7453563

Cc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCC2=NCCO2)o1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.32
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7456516 0.95 MAPKAPK2 (0.30) MAPKAPK2
SCHEMBL7459869 0.88 MAPT (0.36) KCNH2
SCHEMBL7463506 0.83 MAPKAPK2 (0.31) MAPKAPK2
SCHEMBL7460783 0.83 MAPKAPK2 (0.35) MAPKAPK2KCNH2
SCHEMBL7463531 0.81 MAPKAPK2 (0.34) MAPKAPK2KCNH2
SCHEMBL963990 0.81 SIRT2 (0.40) MAPKAPK2KCNH2
SCHEMBL7456651 0.80 ALDH1A1 (0.34) MAPKAPK2KCNH2
SCHEMBL7463111 0.80 ALDH1A1 (0.34) MAPKAPK2KCNH2
SCHEMBL965656 0.80 SIRT2 (0.37) MAPKAPK2KCNH2
SCHEMBL7459313 0.79 NOTUM (0.37)

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