SCHEMBL21742136

SCHEMBL21742136

C=CC(O)(CC)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CHRM3 P20309 1/20 0.38
AHR P35869 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRM2 P08172 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
RAB9A P51151 2/20 0.33
OPRK1 P41145 2/20 0.33
TOP2A P11388 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTBP1 P26599 1/20 0.33
HTT P42858 1/20 0.33
FDPS P14324 1/20 0.33
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
BLM P54132 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL21742045 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3AHRMEN1
SCHEMBL21742135 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1CHRM3AHRMEN1
SCHEMBL21742141 0.76 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRMEN1KMT2A
SCHEMBL21742314 0.76 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRMEN1KMT2A
SCHEMBL8341741 0.76 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CHRM3AHRMEN1
SCHEMBL1856676 0.76 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CHRM3AHRMEN1
SCHEMBL18635470 0.76 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CHRM3AHRMEN1
SCHEMBL15130419 0.75 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A
SCHEMBL16140160 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3AHRMEN1
SCHEMBL23364963 0.74 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1CHRM3AHRMEN1

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