SCHEMBL6429437

SCHEMBL6429437

Cn1ncc(/C=C/C(=O)Nc2ccc(CO[PH](=O)OCc3ccc(NC(=O)/C=C/c4cnn(C)c4-c4ccccc4)cc3)cc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.46
CDK8 P49336 6/20 0.46
CDK19 Q9BWU1 1/20 0.40
ACHE P22303 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL6429433 0.93 CCNC (0.45) CCNCCDK8CDK19ACHEHDAC1
SCHEMBL6429439 0.93 CCNC (0.45) CCNCCDK8CDK19ACHEHDAC1
SCHEMBL6434501 0.90 CCNC (0.43) CCNCCDK8CDK19RAB9AEGFR
SCHEMBL6438696 0.90 HTR2A (0.44) CCNCCDK8CDK19HDAC1HDAC2
SCHEMBL6431326 0.90 HDAC1 (0.42) CCNCCDK8CDK19HDAC1HDAC2
SCHEMBL29208304 0.90 CCNC (0.43) CCNCCDK8CDK19RAB9AEGFR
SCHEMBL6429585 0.90 HDAC1 (0.46) ACHEHDAC1HDAC2MEN1MAPT
SCHEMBL6429773 0.89 HTR2A (0.42) CCNCCDK8CDK19MAOAMAOB
SCHEMBL6437872 0.87 CCNC (0.41) CCNCCDK8CDK19ACHEMAOA
SCHEMBL6432546 0.85 PLK1 (0.44) CCNCCDK8CDK19ACHEHDAC1

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