SCHEMBL28944692

SCHEMBL28944692

C=CC(=O)Oc1c(C)nn(C)c1-n1ccc2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.39
CYP19A1 P11511 2/20 0.37
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL28781989 0.92 MKNK2 (0.34) MAPTCDC7CDK2
SCHEMBL27772599 0.86 PDE6D (0.35) MAPT
SCHEMBL28785086 0.83 CDC7 (0.35) CDC7CDK2
SCHEMBL28781970 0.83 KMO (0.36) MAPTCDC7CDK2
SCHEMBL27793932 0.82 MAPT (0.36) MAPT
SCHEMBL27772686 0.81 PIM3 (0.41)
SCHEMBL27772708 0.80 HTT (0.35) MAPT
SCHEMBL28785080 0.80 KDM4E (0.38) MAPT
SCHEMBL27772584 0.79 SLC22A12 (0.38) CDC7CDK2
SCHEMBL28785082 0.78 FFAR4 (0.39) CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed