SCHEMBL6437873

SCHEMBL6437873

Cn1ncc(C=CC(=O)Nc2ccc(CO[PH](=O)O)cc2)c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.40
CDK8 P49336 11/20 0.40
IMPDH2 P12268 1/20 0.38
CDK19 Q9BWU1 2/20 0.38
NAMPT P43490 2/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
MAOA P21397 1/20 0.35
ABCB1 P08183 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6437870 1.00 CCNC (0.40) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL6437872 0.94 CCNC (0.41) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL6432541 0.88 PLK1 (0.43) CCNCCDK8CDK19NAMPTACHE
SCHEMBL6432548 0.88 PLK1 (0.43) CCNCCDK8CDK19NAMPTACHE
SCHEMBL6429433 0.87 CCNC (0.45) CCNCCDK8CDK19MAOAACHE
SCHEMBL6429439 0.87 CCNC (0.45) CCNCCDK8CDK19MAOAACHE
SCHEMBL6434499 0.85 CCNC (0.42) CCNCCDK8CDK19HTR2AHTR2C
SCHEMBL6434504 0.85 CCNC (0.42) CCNCCDK8CDK19HTR2AHTR2C
SCHEMBL29208306 0.85 CCNC (0.42) CCNCCDK8CDK19HTR2AHTR2C
SCHEMBL4829431 0.83 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed