SCHEMBL6431330

SCHEMBL6431330

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.41
HDAC2 Q92769 7/20 0.41
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
CDK19 Q9BWU1 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPSE Q9Y251 1/20 0.37

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
SCHEMBL6431320 1.00 HDAC1 (0.41) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL6431326 0.94 HDAC1 (0.42) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL6434499 0.91 CCNC (0.42) CCNCCDK8CDK19LMNAHTR2A
SCHEMBL6438693 0.91 HTR2A (0.43) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL6434504 0.91 CCNC (0.42) CCNCCDK8CDK19LMNAHTR2A
SCHEMBL6438698 0.91 HTR2A (0.43) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL29208306 0.91 CCNC (0.42) CCNCCDK8CDK19LMNAHTR2A
SCHEMBL6429439 0.91 CCNC (0.45) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL6429433 0.91 CCNC (0.45) HDAC1HDAC2CCNCCDK8CDK19
SCHEMBL6429582 0.90 HDAC1 (0.45) HDAC1HDAC2MEN1MAPTKMT2A

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