SCHEMBL4599863

SCHEMBL4599863

O=C(CCl)Oc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 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
SCHEMBL27660501 0.84 KMT2A (0.51) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL4059898 0.82 CCNC (0.57) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL20665983 0.82 KMT2A (0.50) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL4600139 0.82 KMT2A (0.50) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL29473371 0.82 CCNC (0.57) KMT2AALOX15ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6954216 0.81 CCNC (0.56) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL1917296 0.81 CCNC (0.52) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL1532656 0.79 KMT2A (0.58) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL4940837 0.79 CCNC (0.48) KMT2AALOX15ALDH1A1MAPTKDM4E
SCHEMBL29852290 0.79 KMT2A (0.56) KMT2AALOX15ALDH1A1MAPTKDM4E

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed