SCHEMBL6437872

SCHEMBL6437872

Cn1ncc(/C=C/C(=O)Nc2ccc(CO[PH](=O)OCc3ccc(NC(=O)/C=C/c4cnn(C)c4-c4ccccc4F)cc3)cc2)c1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.41
CDK8 P49336 11/20 0.41
IMPDH2 P12268 1/20 0.40
CDK19 Q9BWU1 2/20 0.38
NAMPT P43490 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.37
MAOA P21397 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ABCB1 P08183 1/20 0.36
ACHE P22303 1/20 0.36

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 0.94 CCNC (0.40) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL6437873 0.94 CCNC (0.40) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL6432546 0.88 PLK1 (0.44) CCNCCDK8CDK19NAMPTLMNA
SCHEMBL6429437 0.87 CCNC (0.46) CCNCCDK8CDK19MAOAACHE
SCHEMBL29208304 0.85 CCNC (0.43) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL6434501 0.85 CCNC (0.43) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL4829431 0.83 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4829446 0.83 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4825940 0.83 CCNC (0.40) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4554192 0.82 MAPT (0.41) CCNCCDK8CDK19NAMPTSMN1; SMN2

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