SCHEMBL13638972

SCHEMBL13638972

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GRM2 Q14416 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HPGD P15428 4/20 0.36
PDE1B Q01064 1/20 0.36
WNT3A P56704 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 3/20 0.35
KCNK3 O14649 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.88 KMT2A (0.49) KMT2AGRM2JAK2JAK1HPGD
SCHEMBL13162385 0.87 KMT2A (0.48) KMT2AGRM2JAK2JAK1HPGD
SCHEMBL13638849 0.84 KMT2A (0.65) KMT2ALMNATDP1KDM4EALDH1A1
SCHEMBL13638749 0.79 KMT2A (0.54) KMT2ALMNATDP1KDM4EALDH1A1
SCHEMBL13634408 0.78 GRM2 (0.43) KMT2AGRM2JAK2JAK1HPGD
SCHEMBL13638850 0.78 KMT2A (0.42) KMT2AGRM2JAK2JAK1LMNA
SCHEMBL13634813 0.77 KMT2A (0.41) KMT2AGRM2JAK2JAK1HPGD
SCHEMBL13638816 0.77 IRAK4 (0.46) KMT2AGRM2JAK2JAK1HPGD
SCHEMBL15888568 0.76 LMNA (0.44) KMT2AHPGDLMNATDP1ALDH1A1
SCHEMBL13638768 0.76 IRAK4 (0.46) KMT2A

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