SCHEMBL6646533

SCHEMBL6646533

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)NCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HTT P42858 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.48
NAMPT P43490 1/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP13 P45452 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL6612097 0.87 MEN1 (0.55) KMT2AHTTSMN1; SMN2MAPTMEN1
SCHEMBL6613372 0.86 CXCR3 (0.46) KMT2AHTTMAPTMEN1MAPK1
SCHEMBL7741529 0.86 ABCC9 (0.58) KMT2ASMN1; SMN2LMNAMAPTMEN1
SCHEMBL4682722 0.83 ABCC9 (0.53) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4682724 0.83 ABCC9 (0.53) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL6616633 0.81 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL7742284 0.79 ABCC9 (0.54) KMT2ASMN1; SMN2LMNAMAPTMEN1
SCHEMBL6644906 0.79 KCNJ11 (0.40) KMT2ANAMPT
SCHEMBL7145794 0.79 KCNJ11 (0.44) NAMPT
SCHEMBL11629091 0.78 KMT2A (0.80) KMT2AHTTSMN1; SMN2LMNAALDH1A1

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-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed