SCHEMBL6210399

SCHEMBL6210399

CC(C)(C)OC(=O)Oc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
KMT2A Q03164 6/20 0.51
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL6294601 0.84 KMT2A (0.57) KMT2ACCNCCDK8ALOX15ALDH1A1
SCHEMBL9002813 0.81 KMT2A (0.59) KMT2ACCNCCDK8ALOX15ALDH1A1
SCHEMBL16005701 0.79 KMT2A (0.54) ELANEKMT2ACCNCCDK8ALOX15
SCHEMBL29473372 0.79 KMT2A (0.54) ELANEKMT2ACCNCCDK8ALOX15
SCHEMBL11771781 0.78 ELANE (0.67) ELANEKMT2AALOX15ALDH1A1MAPT
SCHEMBL82142 0.78 ELANE (0.67) ELANEKMT2AALOX15ALDH1A1MAPT
SCHEMBL28245982 0.78 KMT2A (0.53) ELANEKMT2ACCNCCDK8ALOX15
SCHEMBL27846058 0.77 KMT2A (0.43) KMT2ACCNCCDK8ALOX15ALDH1A1
SCHEMBL4745216 0.77 THRB (0.50) ELANEKMT2AALDH1A1KDM4ERAB9A
SCHEMBL909511 0.77 KMT2A (0.58) KMT2ACCNCCDK8ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
CN-114245794-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-13 CN disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed