SCHEMBL13634408

SCHEMBL13634408

CCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
DRD4 P21917 1/20 0.38
KMT2A Q03164 2/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
LMNA P02545 1/20 0.36
MCHR1 Q99705 1/20 0.36
POLB P06746 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL13162600 0.90 KMT2A (0.49) GRM2JAK2JAK1KMT2AKLKB1
SCHEMBL13634404 0.87 LMNA (0.46) GRM2KMT2ALMNAALDH1A1GAA
SCHEMBL13634407 0.84 KMT2A (0.52) KMT2ALMNAMCHR1KDM4EALDH1A1
SCHEMBL13163941 0.84 ALDH1A1 (0.53) GRM2JAK2JAK1KMT2ALMNA
SCHEMBL13162385 0.81 KMT2A (0.48) GRM2JAK2JAK1KMT2APOLB
SCHEMBL13634720 0.79 IRAK4 (0.47) GRM2JAK2JAK1KMT2AALDH1A1
SCHEMBL13634241 0.78 LMNA (0.48) KMT2ALMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL13638972 0.78 KMT2A (0.46) GRM2JAK2JAK1KMT2ALMNA
SCHEMBL13634718 0.78 IRAK4 (0.47) KMT2AL3MBTL1
SCHEMBL13634362 0.77 CCNE2 (0.48) GRM2JAK2JAK1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed