SCHEMBL6434504

SCHEMBL6434504

Cn1ncc(C=CC(=O)Nc2ccc(CO[PH](=O)O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.42
CDK8 P49336 10/20 0.42
CDK19 Q9BWU1 2/20 0.42
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HPSE Q9Y251 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GRM5 P41594 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
SCHEMBL6434499 1.00 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL29208306 1.00 CCNC (0.42) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6434501 0.94 CCNC (0.43) CCNCCDK8CDK19MMP1MMP2
SCHEMBL29208304 0.94 CCNC (0.43) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6438698 0.91 HTR2A (0.43) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6431320 0.91 HDAC1 (0.41) CCNCCDK8CDK19NPC1LMNA
SCHEMBL6438693 0.91 HTR2A (0.43) CCNCCDK8CDK19MMP1MMP2
SCHEMBL6431330 0.91 HDAC1 (0.41) CCNCCDK8CDK19NPC1LMNA
SCHEMBL6429433 0.91 CCNC (0.45) CCNCCDK8CDK19RAB9AACHE
SCHEMBL6429439 0.91 CCNC (0.45) CCNCCDK8CDK19RAB9AACHE

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