SCHEMBL13638849

SCHEMBL13638849

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13638749 0.90 KMT2A (0.54) KMT2AKDM4ETDP1LMNATP53
SCHEMBL13162031 0.86 KMT2A (0.69) KMT2AKDM4ETDP1TSHRLMNA
SCHEMBL13162599 0.85 KMT2A (0.68) KMT2AKDM4ETDP1TSHRLMNA
SCHEMBL13638972 0.84 KMT2A (0.46) KMT2AKDM4ETDP1LMNANPC1
SCHEMBL13163150 0.82 KMT2A (0.64) KMT2AKDM4ETDP1TSHRLMNA
SCHEMBL13162819 0.81 KMT2A (0.63) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL13164020 0.80 KMT2A (0.60) KMT2AKDM4ETSHRLMNANPC1
SCHEMBL30230078 0.80 KMT2A (0.64) KMT2AKDM4ETDP1TSHRLMNA
SCHEMBL13164022 0.77 KMT2A (0.56) KMT2AKDM4ETSHRLMNANPC1
SCHEMBL13162387 0.75 KMT2A (0.57) KMT2ATDP1LMNAALDH1A1

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