SCHEMBL21742045

SCHEMBL21742045

C=CCC(O)(CC)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.36
AHR P35869 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTBP1 P26599 1/20 0.35
OPRK1 P41145 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM3 P20309 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
TOP2A P11388 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL16140160 0.84 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRALDH1A1HTT
SCHEMBL8341741 0.84 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRALDH1A1HTT
SCHEMBL4789499 0.80 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1MAPTAHRALDH1A1
SCHEMBL22420949 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRTDP1OPRK1
SCHEMBL21742136 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRALDH1A1HTT
SCHEMBL3299722 0.76 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MAPTALDH1A1HTT
SCHEMBL21742006 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRALDH1A1HTT
SCHEMBL21742085 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRHTTKDM4E
SCHEMBL21742047 0.75 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1MAPTAHRALDH1A1
SCHEMBL21742327 0.75 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1MAPTAHRALDH1A1

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
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed